Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

643 compounds | Property M2.logKoc: Soil sorption coefficient as log(Koc) i

ID	Name	M2.logKoc	Details
1	2,3-dihydro-1H-1,2,4-triazol-3-imine i	1.64	View
4	9-methyl-7-thia-2,4,5-triazatricyclo[6.4.0.0²,⁶]dodeca-1(12),3,5,8,10-pentaene i	3.09	View
5	(1R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one i	2.61	View
9	1-{[(2S,4S)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole i	3.39	View
51	N-{4-methoxy-6-[(propan-2-yl)imino]-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene}propan-2-amine i	2.57	View
54	4-amino-3,5,6-trichloropyridine-2-carboxylic acid i	1.27	View
56	N-tert-butyl-4-chloro-6-(ethylimino)-1,6-dihydro-1,3,5-triazin-2-amine i	2.32	View
57	3,5,6-trichloropyridin-2-ol i	2.11	View
59	(R)-cyclopropyl(4-methoxyphenyl)(pyrimidin-5-yl)methanol i	2.08	View
60	2-{[4-chloro-6-(ethylimino)-1,6-dihydro-1,3,5-triazin-2-yl]amino}-2-methylpropanenitrile i	2.28	View
66	(R)-(2-chlorophenyl)(4-chlorophenyl)(pyrimidin-5-yl)methanol i	2.95	View
67	N'-(2-chlorobenzenesulfonyl)-N-(6-methoxy-4-methyl-1,2-dihydro-1,3,5-triazin-2-ylidene)carbamimidic acid i	1.61	View
70	methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate i	1.74	View
72	methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate i	1.65	View
98	O,O-dimethyl {[(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl]sulfanyl}phosphonothioate i	2.64	View
99	1H-1,2,3-benzotriazole i	1.69	View
123	O-5-chloro-1-(propan-2-yl)-1H-1,2,4-triazol-3-yl O,O-diethyl phosphorothioate i	2.01	View
129	(1S)-1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-ol i	1.88	View
149	3-[(2R)-1-methylpyrrolidin-2-yl]pyridine i	2.01	View
151	O-2-(diethylamino)-6-methylpyrimidin-4-yl O,O-dimethyl phosphorothioate i	3	View
153	2-[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid i	1.55	View
170	2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl N,N-dimethylcarbamate i	2.13	View
219	4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol i	4.14	View
288	decachloropentacyclo[5.3.0.0²,⁶.0³,⁹.0⁴,⁸]decan-5-one i	4.2	View
328	ethyl 4-hydroxybenzoate i	2.21	View
340	2,4'-dichloro-1,1'-biphenyl i	4.14	View
347	4-methylphenol i	2.2	View
348	1,2-diethyl benzene-1,2-dicarboxylate i	1.84	View
355	1,2-dimethyl benzene-1,2-dicarboxylate i	2	View
362	1,2-dibutyl benzene-1,2-dicarboxylate i	3.14	View
370	ethyl hexanoate i	2.06	View
386	1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene i	5.33	View
387	pentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene i	5.83	View
388	pentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene i	6.25	View
389	benzenecarboximidic acid i	1.46	View
390	tetrachloromethane i	1.85	View
391	O,O-diethyl O-4-nitrophenyl phosphorothioate i	3.2	View
392	tetraphene i	5.4	View
394	1,2,3,4,5,6-Hexachlorocyclohexane i	3	View
397	(1R,2S,3S,6R,7R,8S,9R,11S)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.1³,⁶.0²,⁷.0⁹,¹¹]tridec-4-ene i	4.44	View
398	aniline i	1.41	View
399	ethanimidothioic acid i	0.78	View
401	N-methyl-1-(naphthalen-1-yloxy)methanimidic acid i	2.37	View
402	ethanol i	0.2	View
404	acetic acid i	0	View
405	benzoic acid i	1.5	View
406	methanol i	0.44	View
409	trichloromethane i	1.65	View
410	hexachloroethane i	3.34	View
412	propan-1-ol i	0.48	View
413	butan-1-ol i	0.5	View
414	pentan-1-ol i	0.7	View
415	benzene i	1.94	View
416	1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene i	4.9	View
417	1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene i	4.76	View
422	dichloromethane i	1.44	View
423	bromodichloromethane i	1.79	View
425	2,2-dichloropropanoic acid i	0.44	View
428	(2S)-1,2-dichloropropane i	1.69	View
430	1,1,2-trichloroethene i	2.02	View
433	1,1,2,2-tetrachloroethane i	1.9	View
435	phenanthrene i	4.32	View
436	1-benzyl 2-butyl benzene-1,2-dicarboxylate i	3.72	View
437	N-nitroso-N-phenylaniline i	3.08	View
438	9H-fluorene i	3.69	View
440	2,4,6-trichlorophenol i	3.03	View
442	2-nitrophenol i	2.06	View
443	benzene-1,2-dicarboxylic acid i	1.07	View
444	2-methoxyphenol i	1.56	View
445	1-methylnaphthalene i	3.36	View
446	naphthalene i	3.11	View
447	quinoline i	3	View
449	1,1'-biphenyl i	3.25	View
450	[1,1'-biphenyl]-4,4'-diamine i	3.46	View
451	2-(2,4-dichlorophenoxy)acetic acid i	1.48	View
453	1-benzothiophene i	3.49	View
454	1,2-xylene i	2.38	View
455	2-methylphenol i	1.34	View
456	1,2-dichlorobenzene i	2.51	View
459	1,2,4-trimethylbenzene i	3.6	View
460	1,2,4,5-tetramethylbenzene i	3.12	View
461	1,2,4,5-tetrachlorobenzene i	3.2	View
462	2,4,5-trichlorophenol i	2.96	View
467	1-phenylethan-1-one i	1.59	View
468	nitrobenzene i	2.07	View
470	4-nitrophenol i	2.06	View
471	ethylbenzene i	2.32	View
472	ethenylbenzene i	2.96	View
473	phenylmethanol i	0.7	View
474	anisole i	1.54	View
475	phenoxybenzene i	3.29	View
476	propylbenzene i	2.87	View
477	2-phenylacetic acid i	1.45	View
479	1,4-xylene i	2.47	View
480	1,4-dichlorobenzene i	2.54	View
481	4-chloroaniline i	1.97	View
483	prop-2-enal i	-0.31	View
484	1,2-dichloroethane i	1.54	View
494	1,3-xylene i	2.77	View
495	(2S)-1-chloro-2-{[(2R)-1-chloropropan-2-yl]oxy}propane i	1.73	View
496	1,3,5-trimethylbenzene i	2.82	View
497	1,3,5-trichlorobenzene i	2.85	View
498	bromobenzene i	2.34	View
500	toluene i	2.2	View
502	chlorobenzene i	2.38	View
506	phenol i	1.43	View
510	butan-1-amine i	1.88	View
521	hexan-1-ol i	1.01	View
524	1-chloro-2-(2-chloroethoxy)ethane i	1.52	View
527	octan-1-ol i	1.56	View
530	N-methyl-1-[2-(propan-2-yloxy)phenoxy]methanimidic acid i	1.45	View
532	(E)-[2-methyl-2-(methylsulfanyl)propylidene][(methyl-C-hydroxycarbonimidoyl)oxy]amine i	1.57	View
533	hexachlorobenzene i	3.79	View
536	diphenylmethanone i	2.67	View
537	anthracene i	4.34	View
538	benzene-1,2-diol i	2.05	View
539	1,2,4-trichlorobenzene i	3.05	View
540	2,4-dichlorophenol i	2.75	View
542	N,N-dimethylaniline i	2.26	View
543	1,4-diethyl (2R)-2-{[dimethoxy(sulfanylidene)-λ⁵-phosphanyl]sulfanyl}butanedioate i	2.68	View
544	N-[6-chloro-4-(ethylimino)-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]ethan-1-amine i	2.12	View
545	N-phenylaniline i	2.78	View
548	1,4-dioxane i	1.23	View
552	pyrene i	4.79	View
553	8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	3.91	View
554	naphthalen-1-amine i	3.51	View
555	dimethylcarbamothioylsulfanyl dimethylaminomethanedithioate i	2.83	View
558	hexanoic acid i	1.46	View
559	perylene i	5.49	View
560	fluoranthene i	4.71	View
561	pentacyclo[10.7.1.0²,¹¹.0⁴,⁹.0¹⁶,²⁰]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene i	4.99	View
562	chrysene i	5.5	View
565	O,O-dimethyl O-4-nitrophenyl phosphorothioate i	3	View
566	(1R,2R,3R,6S,7S,8S)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.1³,⁶.0²,⁷]dodeca-4,9-diene i	4.4	View
568	N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidic acid i	2.5	View
569	N'-(3,4-dichlorophenyl)-N-methoxy-N-methylcarbamimidic acid i	2.81	View
570	O,O-diethyl O-6-methyl-2-(propan-2-yl)pyrimidin-4-yl phosphorothioate i	2.75	View
572	2,3-dihydro-1H-indene i	3.63	View
573	1,2,3-trimethylbenzene i	2.8	View
575	1,3-dichlorobenzene i	2.48	View
577	2,3-dimethylnaphthalene i	4.08	View
578	iodobenzene i	3.1	View
583	1,2,3,4,5-pentachlorobenzene i	4.41	View
588	1,2,3,4-tetrachlorobenzene i	3.76	View
589	1,2,3,5-tetrachlorobenzene i	3.35	View
591	N,N-dipropyl(ethylsulfanyl)formamide i	2.38	View
592	1-ethylnaphthalene i	3.78	View
593	1-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]-N-methylmethanimidic acid i	1.61	View
594	2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline i	4.15	View
597	N-[6-chloro-4-(ethylimino)-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine i	2.21	View
598	3,6-dichloro-2-methoxybenzoic acid i	1.5	View
600	3-chloro-1,1'-biphenyl i	4.42	View
601	N,N-bis(propan-2-yl){[(2Z)-2,3-dichloroprop-2-en-1-yl]sulfanyl}formamide i	3.28	View
602	N,N-bis(propan-2-yl)[(2,3,3-trichloroprop-2-en-1-yl)sulfanyl]formamide i	3.35	View
603	2,3,4,5-tetrachloro-6-methoxyphenol i	2.85	View
608	(2S)-2-(4-chloro-2-methylphenoxy)propanoic acid i	1.3	View
609	2,3,5,6-tetrachloro-7,7-bis(chloromethyl)-1-(dichloromethyl)bicyclo[2.2.1]heptane i	3.14	View
610	N-butyl-2-{[hydroxy(methoxy)methylidene]amino}-1H-1,3-benzodiazole-1-carboximidic acid i	2.71	View
617	2,6-dinitro-4-(propan-2-yl)-N,N-dipropylaniline i	4	View
626	2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]acetamide i	2.46	View
628	formaldehyde i	0.56	View
629	N-(4-methoxyphenyl)ethanimidic acid i	1.4	View
630	dimethyl [(1R)-2,2,2-trichloro-1-hydroxyethyl]phosphonate i	1.6	View
631	O,O-dimethyl O-3-methyl-4-(methylsulfanyl)phenyl phosphorothioate i	3.18	View
632	16-methylpentacyclo[11.6.1.0²,¹¹.0⁵,¹⁰.0¹⁷,²⁰]icosa-1,3,5,7,9,11,13,15,17(20)-nonaene i	6.1	View
633	carbamimidic acid i	1.03	View
634	(2S)-propane-1,2-diol i	0.36	View
635	7,12-dimethyltetraphene i	5.36	View
636	2,3,4,6-tetrachlorophenol i	3.35	View
637	4-[(E)-2-phenyldiazen-1-yl]aniline i	2.79	View
638	N,N-dimethyl-4-[(E)-2-phenyldiazen-1-yl]aniline i	3.87	View
639	2-phenylethan-1-ol i	1.5	View
640	2-{[dimethoxy(sulfanylidene)-λ⁵-phosphanyl]sulfanyl}-N-methylethanimidic acid i	1.08	View
641	4-nitrobenzoic acid i	1.54	View
642	carbamimidothioic acid i	0.85	View
643	2,2-dichloroethenyl dimethyl phosphate i	1.67	View
644	N-(3-methylphenyl)carbamimidic acid i	1.56	View
645	N-phenylcarbamimidic acid i	1.43	View
646	1,1,1-trichloroethane i	2.04	View
647	(1R,2S,3R,6S,7R,8S,9R,11S)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.1³,⁶.0²,⁷.0⁹,¹¹]tridec-4-ene i	4.08	View
648	1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene i	4.8	View
649	bromomethane i	1.34	View
650	oxirane i	0.34	View
651	tribromomethane i	2.2	View
652	1,1-dichloroethane i	1.48	View
653	1,1-dichloroethene i	1.81	View
654	trichloro(fluoro)methane i	2.2	View
655	trichloro(nitro)methane i	1.79	View
656	(1R,2R,5S,6R,7S)-1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0²,⁶]deca-3,8-diene i	4.01	View
657	hexachlorocyclopenta-1,3-diene i	3.17	View
658	1-({[bis(butylsulfanyl)phosphoryl]methyl}sulfanyl)propane i	3.7	View
659	3,5,5-trimethylcyclohex-2-en-1-one i	1.4	View
660	1,1,2-trichloroethane i	1.81	View
661	4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-chromen-2-one i	2.96	View
662	1-amino-2-methyl-9,10-dihydroanthracene-9,10-dione i	3.9	View
663	1,2,3,4,5-pentachloro-6-nitrobenzene i	4.56	View
664	1,2-dihydroacenaphthylene i	3.85	View
665	9,10-dihydroanthracene-9,10-dione i	3.57	View
666	1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate i	3.14	View
667	1,2-dihexyl benzene-1,2-dicarboxylate i	4.72	View
668	benzo[f]quinoline i	4.81	View
669	1,2,3,4,5-pentabromo-6-ethylbenzene i	4.92	View
670	2-(2,3,6-trichlorophenyl)acetic acid i	1.55	View
671	1,3-dihydro-2-benzofuran-1,3-dione i	1.56	View
672	butyl 2-[(2-butoxy-2-oxoethoxy)carbonyl]benzoate i	3.7	View
673	9H-carbazole i	3.68	View
674	2-(naphthalen-1-yl)ethanimidic acid i	2	View
675	2-(naphthalen-1-yl)acetic acid i	2.25	View
676	1,2,3-trichlorobenzene i	3.29	View
677	pentachlorophenol i	3.34	View
678	2-[(2R)-butan-2-yl]-4,6-dinitrophenol i	2.4	View
679	naphthalen-1-ol i	3.03	View
680	4-[4-(dimethylamino)benzoyl]-N,N-dimethylaniline i	2.21	View
681	diphenylmethanol i	2.34	View
682	1,2-dimethoxybenzene i	2.03	View
683	2-methylnaphthalene i	3.52	View
684	N,N-diethylaniline i	2.37	View
685	N-[2-(dimethylamino)ethyl]-N-[(thiophen-2-yl)methyl]pyridin-2-amine i	2.87	View
686	3,3'-dichloro-[1,1'-biphenyl]-4,4'-diamine i	4.35	View
687	tetracene i	5.81	View
688	phenazine i	3.37	View
689	1-{[1,1'-biphenyl]-4-yl}ethan-1-one i	3.22	View
690	1-(naphthalen-2-yl)ethan-1-one i	2.93	View
691	methyl benzoate i	2.1	View
692	methyl 2-(2,4,5-trichlorophenoxy)acetate i	2.52	View
693	2-(2,4,5-trichlorophenoxy)acetic acid i	1.86	View
694	ethyl benzoate i	2.3	View
695	phenyl benzoate i	3.16	View
696	ethyl 4-methylbenzoate i	2.59	View
697	5-(prop-2-en-1-yl)-2H-1,3-benzodioxole i	2.83	View
698	2-(4-chloro-2-methylphenoxy)acetic acid i	1.73	View
699	1-chloro-2-methylbenzene i	2.55	View
700	2-chlorophenol i	2.16	View
701	3,4-dichloroaniline i	2.29	View
702	3,4-dichlorophenol i	3.09	View
703	(2R)-1,2-dibromo-3-chloropropane i	1.98	View
704	3-(trifluoromethyl)aniline i	2.36	View
705	(1R)-1-phenylethan-1-ol i	1.5	View
706	3-nitroaniline i	1.73	View
707	2,6-dichloro-4-nitroaniline i	3.35	View
708	3,5-dinitrobenzoic acid i	1.9	View
709	1,3,5-trinitrobenzene i	1.3	View
710	1,2-dichloro-4-nitrobenzene i	2.53	View
711	1,3-dinitrobenzene i	1.56	View
712	ethyl 4-nitrobenzoate i	2.48	View
713	4-methylbenzoic acid i	1.77	View
714	4-hydroxybenzoic acid i	1.43	View
715	4-nitroaniline i	1.88	View
716	pyridine-3-carbonitrile i	1.65	View
717	N-methylaniline i	2.28	View
718	4,6-dichloro-N-(2-chlorophenyl)-1,2-dihydro-1,3,5-triazin-2-imine i	3.24	View
719	propan-2-yl N-(3-chlorophenyl)carbamate i	2.65	View
720	N,N-dimethyl-N'-phenylcarbamimidic acid i	1.4	View
721	4-{[4-(dimethylamino)phenyl]methyl}-N,N-dimethylaniline i	3.96	View
722	4-[(4-aminophenyl)methyl]aniline i	1.99	View
723	ethyl 2-phenylacetate i	1.89	View
724	ethyl N-phenylcarbamate i	1.82	View
725	1,3,5-triethylbenzene i	4.12	View
726	bis(2-ethylhexyl) hexanedioate i	4.19	View
727	(E)-diphenyldiazene i	3.22	View
728	2-(pyridin-2-yl)ethan-1-ol i	1.45	View
729	N-phenylethanimidic acid i	1.43	View
730	N-(4-bromophenyl)ethanimidic acid i	1.95	View
731	butylbenzene i	3.4	View
732	ethyl heptanoate i	2.61	View
733	ethyl octanoate i	3.02	View
734	4-bromoaniline i	1.96	View
735	4-bromophenol i	2.41	View
736	4-chlorophenol i	1.85	View
737	4-methylaniline i	1.9	View
738	(2R)-2-(chloromethyl)oxirane i	1	View
739	1,2-dibromoethane i	1.72	View
740	3-methylphenol i	1.54	View
741	3-chlorophenol i	2.18	View
742	3-methylaniline i	1.65	View
743	benzene-1,3-diol i	1.01	View
744	3,5-dimethylphenol i	2.83	View
745	heptan-1-ol i	1.14	View
746	decan-1-ol i	2.59	View
747	dodecan-1-ol i	3.52	View
748	N-(2-chlorophenyl)carbamimidic acid i	1.61	View
749	(1R,2S,3R,4S)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid i	2.79	View
750	6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide i	4.13	View
751	2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethan-1-ol i	3.7	View
752	O,O-diethyl O-4-[(R)-methanesulfinyl]phenyl phosphorothioate i	2.52	View
753	1,2,4,5-tetrachloro-3-nitrobenzene i	4.05	View
754	1,2-bis[(2R)-2-ethylhexyl] benzene-1,2-dicarboxylate i	4.97	View
755	1,2-dioctyl benzene-1,2-dicarboxylate i	4.38	View
756	tetrachlorocyclohexa-2,5-diene-1,4-dione i	2.32	View
757	2-methyl-1,3,5-trinitrobenzene i	2.72	View
758	2,2'-biquinoline i	4.02	View
759	(2S)-2-(2,4-dichlorophenoxy)propanoic acid i	3	View
760	3,5-dinitrobenzene-1-carboximidic acid i	2.31	View
761	O,O-dimethyl O-3-methyl-4-nitrophenyl phosphorothioate i	2.63	View
762	N-(3-nitrophenyl)ethanimidic acid i	1.94	View
763	propan-2-yl N-phenylcarbamate i	1.77	View
764	1,2-diphenylhydrazine i	2.98	View
765	pyridazine-3,6-diol i	0.45	View
766	dibromo(chloro)methane i	1.92	View
767	tetrachloroethene i	2.47	View
768	hexacyclo[10.10.2.0²,⁷.0⁹,²³.0¹³,¹⁸.0²⁰,²⁴]tetracosa-1(22),2,4,6,9,11,13,15,17,20,23-undecaene-8,19-dione i	4.28	View
769	8-thiatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	4.05	View
770	(3aS,7aS)-2-[(trichloromethyl)sulfanyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione i	2.3	View
771	2-[(trichloromethyl)sulfanyl]-2,3-dihydro-1H-isoindole-1,3-dione i	3.27	View
772	3-amino-2,5-dichlorobenzoic acid i	1.4	View
773	N-{6-chloro-4-[(propan-2-yl)imino]-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene}propan-2-amine i	2.3	View
774	4-[(4-aminophenyl)sulfanyl]aniline i	2.04	View
775	(2Z)-3-[(dimethoxyphosphoryl)oxy]-N,N-dimethylbut-2-enamide i	1.66	View
776	nonan-1-ol i	1.89	View
777	(1R,2R,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid i	2.09	View
778	2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazole i	3.24	View
779	1,3-benzothiazole-2-thiol i	2.25	View
780	4-aminobenzoic acid i	2.05	View
781	3-methoxyphenol i	1.5	View
782	1-(4-chlorophenyl)-3,3-dimethylurea i	1.95	View
783	4-methoxyphenol i	1.75	View
784	aziridine i	0.78	View
785	1,2-dichloroethene i	1.77	View
786	hexacyclo[10.10.2.0²,⁷.0⁹,²³.0¹⁴,¹⁹.0²⁰,²⁴]tetracosa-1(22),2,4,6,8,10,12,14,16,18,20,23-dodecaene i	5.71	View
787	hexacyclo[12.8.0.0²,¹¹.0³,⁸.0⁴,²¹.0¹⁷,²²]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene i	5.38	View
788	pentacyclo[10.6.2.0²,⁷.0⁸,²⁰.0¹⁵,¹⁹]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene i	6.07	View
789	hexacyclo[16.3.1.0²,⁷.0⁸,²¹.0¹¹,²⁰.0¹⁴,¹⁹]docosa-1(21),2,4,6,8,10,12,14,16,18(22),19-undecaene i	6.33	View
790	12-azapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁶,²¹]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene i	6.02	View
791	pentacyclo[10.7.1.0²,⁷.0⁸,²⁰.0¹³,¹⁸]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene i	5.36	View
792	acenaphthylene i	3.75	View
793	pentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene i	6.02	View
794	benzo[a]acridine i	4.39	View
795	tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2,4,6,8,11,13,15-octaene i	5.46	View
796	12-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene i	6.02	View
797	acridine i	4.11	View
798	O,O-diethyl {[(ethylsulfanyl)methyl]sulfanyl}phosphonothioate i	3.11	View
799	O,O-diethyl {[2-(ethylsulfanyl)ethyl]sulfanyl}phosphonothioate i	3.13	View
800	(1R)-1,2-dibromo-2,2-dichloroethyl dimethyl phosphate i	2.23	View
801	[(R)-2-[(dimethylphosphoryl)sulfanyl]ethanesulfinyl]ethane i	1.05	View
802	5-bromo-3-[(2S)-butan-2-yl]-2-hydroxy-6-methyl-3,4-dihydropyrimidin-4-one i	1.73	View
803	5-bromo-2-hydroxy-6-methyl-3-(propan-2-yl)-3,4-dihydropyrimidin-4-one i	2.11	View
804	1,2,3,4,5,6-hexachlorocyclohexane i	3.25	View
805	1,2,3,4,5,6-hexachlorocyclohexane i	3.36	View
806	N'-(3-fluorophenyl)-N,N-dimethylcarbamimidic acid i	1.73	View
807	1-(4-fluorophenyl)-3,3-dimethylurea i	1.43	View
808	methyl (2E)-3-[(dimethoxyphosphoryl)oxy]but-2-enoate i	1.97	View
809	N-(3-fluorophenyl)ethanimidic acid i	1.57	View
810	N-[3-(trifluoromethyl)phenyl]ethanimidic acid i	1.75	View
811	N-(4-fluorophenyl)ethanimidic acid i	1.48	View
812	2,2'-bipyridine i	1.6	View
813	4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline i	3.31	View
814	ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate i	3.38	View
815	2,3,4,5,6-pentachloroaniline i	4.62	View
816	3,4-dinitrobenzoic acid i	1.53	View
817	N-(2-chlorophenyl)ethanimidic acid i	1.58	View
818	N-(3-methylphenyl)ethanimidic acid i	1.45	View
819	ethyl pentanoate i	1.97	View
820	(1E)-1,3-dichloroprop-1-ene i	1.52	View
821	2,4-dichloroaniline i	2.72	View
822	3-nitrophenol i	1.72	View
823	N-butyl-N'-(3,4-dichlorophenyl)-N-methylcarbamimidic acid i	3.38	View
824	isothiocyanatomethane i	0.97	View
825	O,O-diethyl [({[diethoxy(sulfanylidene)-λ⁵-phosphanyl]sulfanyl}methyl)sulfanyl]phosphonothioate i	4.13	View
826	2,3-dichlorophenol i	2.65	View
827	1-bromo-4-nitrobenzene i	2.42	View
828	N'-(3-chlorophenyl)-N,N-dimethylcarbamimidic acid i	1.79	View
829	2-chloro-N-phenylethanimidic acid i	1.58	View
830	N-(3-chlorophenyl)ethanimidic acid i	1.86	View
831	3,5-dichlorophenol i	2.83	View
832	dibromodichloromethane i	1.92	View
833	trichloroethanimidic acid i	0.99	View
834	N-methylcarbamimidic acid i	1.77	View
835	2,6-dichloroaniline i	3.25	View
836	3,4,5-trichlorophenol i	3.56	View
837	2-chlorobenzene-1-carboximidic acid i	1.51	View
838	2-nitrobenzene-1-carboximidic acid i	1.45	View
839	N,N-dimethylbenzamide i	1.54	View
840	anthracen-2-amine i	4.45	View
841	N-methylbenzenecarboximidic acid i	1.42	View
842	ethyl 3,5-dinitrobenzoate i	2.74	View
843	3,5-dinitroaniline i	2.55	View
844	4-methylbenzamide i	1.78	View
845	4-nitrobenzamide i	1.93	View
846	N-(3-bromophenyl)ethanimidic acid i	2.01	View
847	1-ethyl-4-methylbenzene i	3.62	View
848	3,5-dichloroaniline i	2.44	View
849	1,1,1,2-tetrachloroethane i	1.73	View
850	tetrachlorobenzene-1,2-dicarboxylic acid i	3.3	View
851	2,3,4-trichloroaniline i	2.63	View
852	2,3,4,5-tetrachloroaniline i	3.04	View
853	3-nitrobenzene-1-carboximidic acid i	1.95	View
854	1,2,3,4,5-pentafluoro-6-methanesulfonylbenzene i	1.46	View
855	N-(2-fluorophenyl)carbamimidic acid i	1.32	View
856	N-(4-fluorophenyl)carbamimidic acid i	1.52	View
857	N-[6-(ethylimino)-4-methoxy-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene]ethan-1-amine i	2.34	View
858	N,N-diethylacetamide i	1.84	View
859	2,3,5-trimethylphenol i	3.61	View
860	N-(3,4-dichlorophenyl)propanimidic acid i	2.18	View
861	anthracene-9-carboxylic acid i	2.69	View
862	O,O-dimethyl {[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]sulfanyl}phosphonothioate i	2.85	View
863	O,O-bis(propan-2-yl) [(2-benzenesulfonamidoethyl)sulfanyl]phosphonothioate i	3.5	View
864	N-(3-fluorophenyl)carbamimidic acid i	1.77	View
865	9-methylanthracene i	4.81	View
866	1-(anthracen-9-yl)ethan-1-one i	3.58	View
867	O,O-diethyl ({[(4-chlorophenyl)sulfanyl]methyl}sulfanyl)phosphonothioate i	4.66	View
868	cyclohexylbenzene i	4.18	View
869	N-[4-(ethylimino)-6-(methylsulfanyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine i	2.59	View
870	1-[(E)-2-phenyldiazen-1-yl]naphthalen-2-ol i	3.58	View
871	1,2,3,4-tetrachloro-5-nitrobenzene i	4.23	View
872	N-tert-butyl-4-(ethylimino)-6-(methylsulfanyl)-1,4-dihydro-1,3,5-triazin-2-amine i	2.85	View
873	N-cyclohexyl-N'-phenylcarbamimidic acid i	2.07	View
874	dimethyl {[2-(ethylsulfanyl)ethyl]sulfanyl}phosphonate i	1.49	View
875	2,3,5-trichlorophenol i	3.61	View
876	2-ethylnaphthalene i	3.76	View
877	ethoxy-ethyl-phenylsulfanyl-sulfanylidenephosphorane i	3.32	View
878	O,O-dimethyl {[(5-methoxy-2-oxo-2,3-dihydro-1,3,4-thiadiazol-3-yl)methyl]sulfanyl}phosphonothioate i	2.03	View
879	O,O-dimethyl ({[(4-chlorophenyl)sulfanyl]methyl}sulfanyl)phosphonothioate i	4.67	View
880	N,N-dimethyl-2,2-diphenylacetamide i	2.06	View
881	(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl phosphate i	3.07	View
882	N'-methyl-N-phenylcarbamimidic acid i	1.29	View
883	(1S,2S,3R,5R,6S,7R,8R)-1,6,8,9,10,11,11-heptachloro-4-oxatetracyclo[6.2.1.0²,⁷.0³,⁵]undec-9-ene i	4.02	View
884	N-butyl-N-ethyl(propylsulfanyl)formamide i	2.8	View
885	N-phenylbutanimidic acid i	1.71	View
886	N-{[(S)-ethanesulfinyl]methyl}-N-ethylaniline i	2.54	View
887	2,6-dichlorobenzonitrile i	2.38	View
888	tetrachlorobenzene-1,2-diol i	1.56	View
889	(anthracen-9-yl)methanol i	3.61	View
890	2,3-dihydro-1H-inden-5-ol i	3.63	View
891	butyl N-phenylcarbamate i	2.26	View
892	N-[4-(ethylimino)-6-methoxy-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine i	2.64	View
893	1,2-diethylhydrazine i	1.18	View
894	(E)-{2-[(R)-methanesulfinyl]-2-methylpropylidene}[(methyl-C-hydroxycarbonimidoyl)oxy]amine i	0.56	View
895	(E)-(2-methanesulfonyl-2-methylpropylidene)[(methyl-C-hydroxycarbonimidoyl)oxy]amine i	0.71	View
896	3,5-dibromo-4-hydroxybenzonitrile i	2.28	View
897	2,6-dibromo-4-cyanophenyl octanoate i	4	View
898	(4S,5R)-5-amino-4-chloro-2-phenyl-1,2-diazinan-3-one i	2.07	View
899	1-(4-chlorophenyl)-3-methoxy-3-methylurea i	2.2	View
900	methyl[(methylamino)(phenoxy)phosphoryl]amine i	1.51	View
901	2,4-dichloro-1-(4-nitrophenoxy)benzene i	3.65	View
902	1,3,5-trichloro-2-(4-nitrophenoxy)benzene i	3.9	View
903	1,4-dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate i	3.67	View
904	N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline i	4.03	View
905	tetrachlorobenzene-1,3-dicarbonitrile i	3.2	View
906	4-chloro-N-ethyl-6-(ethylimino)-N-(propan-2-yl)-1,6-dihydro-1,3,5-triazin-2-amine i	3.07	View
907	4-chloro-N,N-diethyl-6-(ethylimino)-1,6-dihydro-1,3,5-triazin-2-amine i	2.77	View
908	2,6-dichlorobenzene-1-carboimidothioic acid i	2.26	View
909	2-chloro-N-phenyl-N-(propan-2-yl)acetamide i	2.42	View
910	methyl N-(3,4-dichlorophenyl)carbamate i	2.74	View
911	N,N-dipropyl(propylsulfanyl)formamide i	2.38	View
912	2-chloro-6-(trichloromethyl)pyridine i	2.62	View
913	N-methyl-1-phenoxymethanimidic acid i	1.73	View
914	(2S)-but-3-yn-2-yl N-(3-chlorophenyl)carbamate i	2.21	View
915	N-(4-bromophenyl)carbamimidic acid i	2.09	View
916	N-(3-chlorophenyl)carbamimidic acid i	2.01	View
917	1-[4-(4-chlorophenoxy)phenyl]-3,3-dimethylurea i	3.53	View
918	N-[(1R,2R)-2-methylcyclohexyl]-N'-phenylcarbamimidic acid i	2.47	View
919	N,N-bis(2-methylpropyl)(ethylsulfanyl)formamide i	2.9	View
920	2,6-dichlorobenzene-1-carboximidic acid i	0.53	View
921	1-[3,5-dimethyl-4-(methylsulfanyl)phenoxy]-N-methylmethanimidic acid i	2.32	View
922	4,4'-dichloro-1,1'-biphenyl i	4.3	View
923	2-chloro-1,1'-biphenyl i	3.52	View
924	2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline i	3.61	View
925	ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidenephosphorane i	3.12	View
926	ethyl 2-(naphthalen-1-yl)acetate i	2.48	View
927	tetrachlorobenzene-1,4-dicarboxylic acid i	3.51	View
928	N-(3,4-dichlorophenyl)ethanimidic acid i	2.34	View
929	4-(ethylimino)-6-[(propan-2-yl)imino]-1,4,5,6-tetrahydro-1,3,5-triazin-2-ol i	2.95	View
930	N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]carbamimidic acid i	2	View
931	(azepan-1-yl)(ethylsulfanyl)methanone i	1.94	View
932	octachloronaphthalene i	5.89	View
933	(2S)-N-(3-chloro-4-methylphenyl)-2-methylpentanimidic acid i	2.76	View
934	O,O-diethyl {[(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]sulfanyl}phosphonothioate i	2.98	View
935	[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite i	3.6	View
936	N-(3,4-dichlorophenyl)carbamimidic acid i	2.53	View
937	Perchloropentacyclo(5.2.1.0(2,6).0(3,9).0(5,8))decane i	6	View
938	1-(3,4-dimethylphenoxy)-N-methylmethanimidic acid i	1.71	View
939	(E)-[(methyl-C-hydroxycarbonimidoyl)oxy](phenylmethylidene)amine i	1.8	View
940	6-methyl-2H-[1,3]dithiolo[4,5-b]quinoxalin-2-one i	3.36	View
941	5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole i	3	View
942	chrysen-6-amine i	5.21	View
943	2,3,4-trichloro-6-methoxyphenol i	2.9	View
944	1,4-dichloro-2,5-dimethoxybenzene i	3.11	View
945	N-methyl-1-(3,4,5-trimethylphenoxy)methanimidic acid i	2.6	View
946	diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane i	3.92	View
947	(3aS,7aS)-2-[(1,1,2,2-tetrachloroethyl)sulfanyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione i	3.32	View
948	3,5-dichloro-2,6-dimethyl-1,4-dihydropyridin-4-one i	2.76	View
949	N-(3-bromophenyl)carbamimidic acid i	2.09	View
950	1-(4-bromophenyl)-3-methoxy-3-methylurea i	2.1	View
951	O,O-diethyl O-4-(methylsulfanyl)phenyl phosphorothioate i	3.18	View
952	O,O-dipropyl {[dipropoxy(sulfanylidene)-λ⁵-phosphanyl]oxy}phosphonothioate i	3.84	View
953	methyl N-(4-aminophenyl)sulfonylcarbamate i	2.04	View
954	O-4-[(4-{[dimethoxy(sulfanylidene)-λ⁵-phosphanyl]oxy}phenyl)sulfanyl]phenyl O,O-dimethyl phosphorothioate i	5	View
955	3-[(2R)-2-methylpiperidin-1-yl]propyl 3,4-dichlorobenzoate i	3.7	View
956	2,3,5,6-tetrachloroaniline i	3.94	View
957	N-(3,4-dichlorophenyl)-N'-methylcarbamimidic acid i	2.46	View
958	{[1,1'-biphenyl]-4-yl}methanol i	2.59	View
959	O,O-diethyl {[diethoxy(sulfanylidene)-λ⁵-phosphanyl]oxy}phosphonothioate i	2.66	View
960	1-{2-[(2R)-butan-2-yl]phenoxy}-N-methylmethanimidic acid i	1.71	View
961	2-(4-chloro-2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetic acid i	1.52	View
962	1-(3-chlorophenoxy)-N-methylmethanimidic acid i	2.15	View
963	N-[4-(ethylsulfanyl)-6-[(propan-2-yl)imino]-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine i	3.07	View
964	6-chloropyridine-2-carboxylic acid i	1.16	View
965	4-methanesulfonyl-2,6-dinitro-N,N-dipropylaniline i	2.92	View
966	(naphthalen-1-yl)methanol i	2.25	View
967	2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboximidic acid i	2.41	View
968	2-methyl-4,4-dioxo-N-phenyl-5,6-dihydro-1,4λ⁶-oxathiine-3-carboximidic acid i	1.7	View
969	3-chloro-4-methoxyaniline i	1.93	View
970	propyl N-phenylcarbamate i	2.06	View
971	dimethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane i	3.52	View
972	3-tert-butyl-5-chloro-2-hydroxy-6-methyl-3,4-dihydropyrimidin-4-one i	1.69	View
973	1,4-bis[(2S)-2-ethylhexyl] benzene-1,4-dicarboxylate i	4.16	View
974	(2E)-3-[(dimethoxyphosphoryl)oxy]-N-methylbut-2-enimidic acid i	0	View
975	4-bromo-3-methylaniline i	2.26	View
976	2,4,4'-trichloro-1,1'-biphenyl i	4.62	View
977	N-(3-chloro-4-methoxyphenyl)ethanimidic acid i	1.95	View
978	2-chloro-6-methoxy-4-(trichloromethyl)pyridine i	3.48	View
979	3,3-dimethyl-1-(4-methylphenyl)urea i	1.51	View
980	1-(4-methoxyphenyl)-3,3-dimethylurea i	1.4	View
981	methyl 3-amino-2,5-dichlorobenzoate i	2.74	View
982	N-[4-(methylsulfanyl)-6-[(propan-2-yl)imino]-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine i	2.85	View
983	(1R)-1-phenylethyl (2E)-3-[(dimethoxyphosphoryl)oxy]but-2-enoate i	2	View
984	methyl 3-[(dimethoxyphosphoryl)oxy]but-2-enoate i	1.97	View
985	(1E)-1,3-dichloroprop-1-ene i	1.41	View
986	[(S)-methoxy(methylsulfanyl)phosphoryl]amine i	0.7	View
987	O,O-diethyl ({[(R)-2-methylpropane-2-sulfinyl]methyl}sulfanyl)phosphonothioate i	2.18	View
988	2-(Carbomethoxyamino)benzimidazole i	2.35	View
989	2,2'-dichloro-1,1'-biphenyl i	3.92	View
990	O,O-diethyl {[(tert-butylsulfanyl)methyl]sulfanyl}phosphonothioate i	2.82	View
991	N-[3-(trifluoromethyl)phenyl]carbamimidic acid i	1.97	View
992	N-cyclopropyl-N'-phenylcarbamimidic acid i	1.73	View
993	N-cyclopentyl-N'-phenylcarbamimidic acid i	1.93	View
994	(2E)-2-chloro-3-[(dimethoxyphosphoryl)oxy]-N,N-diethylbut-2-enamide i	0.85	View
995	ethyl bis(propylsulfanyl)phosphinate i	1.82	View
996	N'-(4-bromo-3-chlorophenyl)-N-methoxy-N-methylcarbamimidic acid i	2.7	View
997	1-(3-{[ethoxy(hydroxy)methylidene]amino}phenoxy)-N-phenylmethanimidic acid i	3.24	View
998	1-(3-{[hydroxy(methoxy)methylidene]amino}phenoxy)-N-(3-methylphenyl)methanimidic acid i	3.38	View
999	O,O-diethyl O-4-methanesulfonylphenyl phosphorothioate i	2.17	View
1000	(2R)-N,N-diethyl-2-(naphthalen-1-yloxy)propanamide i	2.66	View
1001	N'-(3-chloro-4-methylphenyl)-N,N-dimethylcarbamimidic acid i	2.02	View
1002	2,2',6,6'-tetrachloro-1,1'-biphenyl i	5.01	View
1003	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide i	2.28	View
1004	(Z)-[(methyl-C-hydroxycarbonimidoyl)oxy][1-(methylsulfanyl)ethylidene]amine i	1.75	View
1005	1-(3,4-dichlorophenoxy)-N-methylmethanimidic acid i	2.74	View
1006	N-(1,3-benzothiazol-2-yl)-N,N'-dimethylcarbamimidic acid i	2.8	View
1007	(E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate i	2.47	View
1008	2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate i	2.47	View
1009	4-(dipropylamino)-3,5-dinitrobenzene-1-sulfonamide i	3.08	View
1010	5-tert-butyl-3-[2,4-dichloro-5-(propan-2-yloxy)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-one i	3.51	View
1011	N'-(3-chloro-4-methoxyphenyl)-N,N-dimethylcarbamimidic acid i	1.72	View
1012	2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione i	3.45	View
1013	N-(3-chloro-4-methoxyphenyl)-N'-methylcarbamimidic acid i	1.84	View
1014	N-(3-chlorophenyl)-N'-methylcarbamimidic acid i	1.93	View
1015	4-amino-6-tert-butyl-3-(methylsulfanyl)-4,5-dihydro-1,2,4-triazin-5-one i	1.85	View
1016	(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidenephosphorane i	4.24	View
1017	N-(3-chloro-4-methylphenyl)-N'-methylcarbamimidic acid i	2.1	View
1018	[(R)-ethoxy[3-methyl-4-(methylsulfanyl)phenoxy]phosphoryl](propan-2-yl)amine i	2.52	View
1019	1-[(2,2-dimethyl-2H-1,3-benzodioxol-4-yl)oxy]-N-methylmethanimidic acid i	2.75	View
1020	(2Z)-N,N-dimethyl-2-{[(methyl-C-hydroxycarbonimidoyl)oxy]imino}-2-(methylsulfanyl)acetamide i	1	View
1021	N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide i	3.08	View
1022	methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate i	3.25	View
1023	3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzene-1-carboximidic acid i	2.31	View
1024	O,O-dipropyl ({2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl}sulfanyl)phosphonothioate i	3.44	View
1025	3-(propan-2-yl)-3,4-dihydro-1H-2λ⁶,1,3-benzothiadiazine-2,2,4-trione i	1.52	View
1026	N-(3-chloro-4-methoxyphenyl)carbamimidic acid i	2	View
1027	propan-2-yl 2-{[(S)-ethoxy[(propan-2-yl)amino]sulfanylidene-λ⁵-phosphanyl]oxy}benzoate i	2.76	View
1028	bis(propan-2-yl) (benzylsulfanyl)phosphonate i	2.4	View
1029	(2R)-2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate i	2.05	View
1030	(2R)-N-[4-(ethylimino)-6-methoxy-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]butan-2-amine i	2.78	View
1031	N,N-bis(2-chloroethyl)-4-methyl-2,6-dinitroaniline i	3.94	View
1032	N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline i	4.01	View
1033	N-[(1R)-2,2,2-trichloro-1-{4-[(1R)-2,2,2-trichloro-1-formamidoethyl]piperazin-1-yl}ethyl]formamide i	2.8	View
1034	4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydropyridazin-3-one i	3.28	View
1035	N'-(3-methoxyphenyl)-N,N-dimethylcarbamimidic acid i	1.72	View
1036	N,N-diethyl{[(4-chlorophenyl)methyl]sulfanyl}formamide i	3.27	View
1037	N1,N1-diethyl-2,6-dinitro-4-(trifluoromethyl)benzene-1,3-diamine i	3.63	View
1038	1-bromo-2-chloro-4-nitrobenzene i	2.6	View
1039	N-[(R)-methoxy(methylsulfanyl)phosphoryl]ethanimidic acid i	0.39	View
1040	[(R)-ethoxy({4-[(R)-methanesulfinyl]-3-methylphenoxy})phosphoryl](propan-2-yl)amine i	1.57	View
1041	[(R)-ethoxy(4-methanesulfonyl-3-methylphenoxy)phosphoryl](propan-2-yl)amine i	1.64	View
1042	2-butoxyethyl 4-(2,4-dichlorophenoxy)butanoate i	2.7	View
1043	2,3',4',5-tetrachloro-1,1'-biphenyl i	4.85	View
1044	N-(2-chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline i	3.55	View
1045	N-[(2R)-butan-2-yl]-4-tert-butyl-2,6-dinitroaniline i	3.95	View
1046	N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N'-dimethylcarbamimidic acid i	1.83	View
1047	3,3-dimethyl-1-[4-(propan-2-yl)phenyl]urea i	2.11	View
1048	2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide i	2.22	View
1049	2,2',4,4',5,5'-hexachloro-1,1'-biphenyl i	5.87	View
1050	1-(4-chlorophenyl)-3-[(2,6-difluorophenyl)(hydroxy)methylidene]urea i	3.83	View
1051	ethoxy-(4-methylsulfanylphenoxy)-propylsulfanyl-sulfanylidenephosphorane i	4.25	View
1052	1-[(2R)-2-(2,4-dichlorophenyl)-2-(prop-2-en-1-yloxy)ethyl]-1H-imidazole i	3.73	View
1053	2,2',5,5'-tetrachloro-1,1'-biphenyl i	4.82	View
1054	2,2',4,4',6,6'-hexabromo-1,1'-biphenyl i	4.87	View
1055	N'-(3,5-dimethylphenyl)-N,N-dimethylcarbamimidic acid i	1.73	View
1056	3-(3,5-dichlorophenyl)-2,4-dioxo-N-(propan-2-yl)imidazolidine-1-carboximidic acid i	2.17	View
1057	2,2',5-trichloro-1,1'-biphenyl i	4.23	View
1058	2,2',4-trichloro-1,1'-biphenyl i	4.84	View
1059	2,2',4,5,5'-pentachloro-1,1'-biphenyl i	4.63	View
1060	2,2',3,4,5'-pentachloro-1,1'-biphenyl i	4.68	View
1061	2,2',3,3',4,4'-hexachloro-1,1'-biphenyl i	5.74	View
1062	ethyl 2-[2-chloro-N-(2,6-diethylphenyl)acetamido]acetate i	3.11	View
1063	3,4-dimethyl-2,6-dinitro-N-(pentan-3-yl)aniline i	2.96	View
1064	4-bromo-2-chloro-1-(ethoxy-propylsulfanylphosphoryl)oxybenzene i	3.03	View
1065	4-amino-3-methyl-6-phenyl-4,5-dihydro-1,2,4-triazin-5-one i	2.17	View
1066	methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate i	3.66	View
1067	2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene i	4.85	View
1068	3-cyclohexyl-6-(dimethylamino)-1-methyl-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione i	1.73	View
1069	methyl (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate i	4.2	View
1070	(R)-cyano(3-phenoxyphenyl)methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate i	4.37	View
1071	N'-phenyl-N-(1,2,3-thiadiazol-5-yl)carbamimidic acid i	2.02	View
1072	(S)-cyano(3-phenoxyphenyl)methyl (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate i	4.64	View
1073	(3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate i	4	View
1074	2,2',3,4,5,5'-hexachloro-1,1'-biphenyl i	5.95	View
1075	2,2',3,4,5,5',6-heptachloro-1,1'-biphenyl i	5.77	View
1076	N-ethyl-N-(2-methylprop-2-en-1-yl)-2,6-dinitro-4-(trifluoromethyl)aniline i	3.8	View
1077	5,6-dimethyl-2,3-dihydro-1λ⁶,4λ⁶-dithiine-1,1,4,4-tetrone i	0.48	View
1078	1-(5-tert-butyl-2,3-dihydro-1,2-oxazol-3-ylidene)-3,3-dimethylurea i	2.47	View
1079	O,O-diethyl {[(2-methylpropane-2-sulfonyl)methyl]sulfanyl}phosphonothioate i	2.18	View
1080	methyl (2S)-2-[N-(2,6-dimethylphenyl)-2-methoxyacetamido]propanoate i	1.63	View
1081	(2R)-2-(3,5-dichlorophenyl)-2-(2,2,2-trichloroethyl)oxirane i	3.75	View
1082	(Z)-[1-(methylsulfanyl)ethylidene]amino N-methyl-N-{[(3E)-3-methyl-6-oxo-5-oxa-2-thia-4,7-diazaoct-3-en-7-yl]sulfanyl}carbamate i	2.49	View
1083	1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridin-4-one i	2.75	View
1084	(3R,4S)-3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one i	2.55	View
1085	N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline i	4	View
1086	pentyl N-phenylcarbamate i	2.61	View
1087	N2-cyclopropyl-1,3,5-triazinane-2,4,6-triimine i	2.3	View
1088	(S)-cyano(3-phenoxyphenyl)methyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate i	3.72	View
1089	ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate i	3.98	View
1090	(R)-cyano(3-phenoxyphenyl)methyl (1S,3S)-2,2-dimethyl-3-[(1S)-1,2,2,2-tetrabromoethyl]cyclopropane-1-carboxylate i	5	View
1091	N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide i	2.7	View
1092	(S)-cyano(4-fluoro-3-phenoxyphenyl)methyl (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate i	5	View
1093	butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate i	2.76	View
1094	(S)-cyano(3-phenoxyphenyl)methyl (2R)-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate i	5	View
1095	(E)-[(4-chlorophenyl)methylidene][(methyl-C-hydroxycarbonimidoyl)oxy]amine i	2	View
1096	(5S)-2-[(1E)-1-(ethoxyimino)butyl]-5-[(2S)-2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one i	2	View
1097	methyl 2-({[(4,6-dimethylpyrimidin-2-yl)-C-hydroxycarbonimidoyl]amino}sulfonyl)benzoate i	1.8	View
1098	ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate i	2.74	View
1099	1-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylurea i	2.53	View
1100	N-(4-phenoxyphenyl)carbamimidic acid i	2.56	View
1101	N-(4-fluoro-3-methylphenyl)carbamimidic acid i	1.75	View
1102	N-(4-bromo-3-methylphenyl)carbamimidic acid i	2.37	View
1103	(4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboximidic acid i	3.79	View
1104	ethyl N-[2-[4-(phenoxy)phenoxy]ethyl]carbamate i	3	View
1105	2-[(5S)-5-methyl-4-oxo-5-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid i	2	View
1106	2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide i	2.4	View
1107	{2-methyl-[1,1'-biphenyl]-3-yl}methyl (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate i	5.35	View
1108	(1R,2S,4S)-1-methyl-2-[(2-methylphenyl)methoxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane i	2.6	View
1109	ethyl 2-({[(4-chloro-6-methoxypyrimidin-2-yl)-C-hydroxycarbonimidoyl]amino}sulfonyl)benzoate i	2.04	View
1110	(R)-cyano(3-phenoxyphenyl)methyl (1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate i	5.26	View

Bibliography

Sabljić, A.; Güsten, H.; Verhaar, H.; Hermens, J. QSAR modelling of soil sorption. Improvements and systematics of log KOC vs. log KOW correlations. Chemosphere 1995, 31, 4489–4514. https://doi.org/10.1016/0045-6535(95)00327-5
Tao, S.; Piao, H.; Dawson, R.; Lu, X.; Hu, H. Estimation of Organic Carbon Normalized Sorption Coefficient (Koc) for Soils Using the Fragment Constant Method . Environ. Sci. Technol. 1999, 33, 2719–2725. https://doi.org/10.1021/es980833d
Huuskonen, J. Prediction of Soil Sorption Coefficient of a Diverse Set of Organic Chemicals From Molecular Structure. J. Chem. Inf. Model. 2003, 43, 1457–1462. https://doi.org/10.1021/ci020342j

Search

Chemical search

Advanced Search

Browse

All of QsarDB
Communities & Collections By Submit Date Authors Titles Journals Endpoints Species Descriptor calculation software Modeling software Model type
This Collection
By Submit Date Authors Titles Journals Endpoints Species Descriptor calculation software Modeling software Model type

10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Bibliography

Search

Browse

All of QsarDB

This Collection

My Account