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.

250 compounds | Property M3.GHLI: Global half-life index i

ID	Name	M3.GHLI	Details
348	1,2-diethyl benzene-1,2-dicarboxylate i	-0.33858	View
353	methyl formate i	-1.59781	View
354	butyl acetate i	-1.59781	View
355	1,2-dimethyl benzene-1,2-dicarboxylate i	-0.33858	View
360	methyl acetate i	-1.59781	View
362	1,2-dibutyl benzene-1,2-dicarboxylate i	-0.57294	View
366	propyl acetate i	-1.59781	View
373	ethyl acetate i	-1.59781	View
386	1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene i	2.76447	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	2.42434	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	2.42434	View
389	benzenecarboximidic acid i	-1.51495	View
390	tetrachloromethane i	2.68194	View
391	O,O-diethyl O-4-nitrophenyl phosphorothioate i	-0.47674	View
392	tetraphene i	2.42434	View
393	(1S,2R,3R,4R,6R,7R)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0²,⁶]dec-8-ene i	2.85689	View
394	1,2,3,4,5,6-Hexachlorocyclohexane i	3.09125	View
395	ethoxyethane i	-0.47674	View
396	ethanimidic acid i	-1.51495	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	2.85689	View
398	aniline i	-1.41537	View
399	ethanimidothioic acid i	-1.51495	View
400	dimethyl(nitroso)amine i	-1.0383	View
401	N-methyl-1-(naphthalen-1-yloxy)methanimidic acid i	-0.57294	View
402	ethanol i	-2.29678	View
403	formic acid i	-1.36345	View
404	acetic acid i	-1.59781	View
405	benzoic acid i	-1.59781	View
406	methanol i	-2.06242	View
407	propan-2-ol i	-2.29678	View
408	propan-2-one i	-0.55838	View
409	trichloromethane i	2.20366	View
410	hexachloroethane i	2.68194	View
411	2-hydroxybenzoic acid i	-1.59781	View
412	propan-1-ol i	-2.29678	View
413	butan-1-ol i	-2.29678	View
414	pentan-1-ol i	-2.29678	View
415	benzene i	-0.81686	View
416	1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene i	-0.1179	View
417	1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene i	3.7764	View
418	bromo(chloro)methane i	0.94443	View
419	chloroethene i	0.46615	View
420	ethanamine i	-1.84173	View
421	acetaldehyde i	-2.79419	View
422	dichloromethane i	2.20366	View
423	bromodichloromethane i	0.94443	View
424	2-methylpropan-2-ol i	-1.03667	View
425	2,2-dichloropropanoic acid i	0.90374	View
426	1,1,1,2,2-pentachloroethane i	2.68194	View
427	2-methylpropan-1-ol i	-2.29678	View
428	(2S)-1,2-dichloropropane i	1.9693	View
429	butan-2-one i	-1.69494	View
430	1,1,2-trichloroethene i	0.70051	View
431	prop-2-enoic acid i	-1.84173	View
432	2-chloroacetic acid i	-0.09466	View
433	1,1,2,2-tetrachloroethane i	2.68194	View
434	methyl 2-methylprop-2-enoate i	-1.84173	View
435	phenanthrene i	1.16423	View
436	1-benzyl 2-butyl benzene-1,2-dicarboxylate i	-0.57294	View
437	N-nitroso-N-phenylaniline i	-1.0383	View
438	9H-fluorene i	1.16423	View
439	2,6-dimethylaniline i	-1.07035	View
440	2,4,6-trichlorophenol i	0.36039	View
441	1-methyl-2-nitrobenzene i	-0.44468	View
442	2-nitrophenol i	-0.89972	View
443	benzene-1,2-dicarboxylic acid i	-1.59781	View
444	2-methoxyphenol i	-1.84173	View
445	1-methylnaphthalene i	-0.1179	View
446	naphthalene i	-0.1179	View
447	quinoline i	-0.57294	View
448	naphthalen-2-amine i	-1.41537	View
449	1,1'-biphenyl i	-0.57294	View
450	[1,1'-biphenyl]-4,4'-diamine i	-1.76844	View
451	2-(2,4-dichlorophenoxy)acetic acid i	-1.14365	View
452	4-(2,4-dichlorophenoxy)butanoic acid i	-1.27102	View
453	1-benzothiophene i	0.70051	View
454	1,2-xylene i	0.22223	View
455	2-methylphenol i	-3.13431	View
456	1,2-dichlorobenzene i	1.9693	View
457	2-chloroaniline i	-0.57294	View
458	2-methylaniline i	-2.79419	View
459	1,2,4-trimethylbenzene i	0.22223	View
460	1,2,4,5-tetramethylbenzene i	0.22223	View
461	1,2,4,5-tetrachlorobenzene i	2.54378	View
462	2,4,5-trichlorophenol i	-0.36015	View
463	(2S)-2-phenyloxirane i	-0.81686	View
464	1,2,3-trichloropropane i	1.9693	View
465	pentan-3-one i	-1.27102	View
466	(propan-2-yl)benzene i	0.22223	View
467	1-phenylethan-1-one i	-0.79274	View
468	nitrobenzene i	0.29552	View
469	1-methyl-4-nitrobenzene i	-0.44468	View
470	4-nitrophenol i	-0.89972	View
471	ethylbenzene i	0.22223	View
472	ethenylbenzene i	-1.07035	View
473	phenylmethanol i	-2.29678	View
474	anisole i	-0.47674	View
475	phenoxybenzene i	-0.47674	View
476	propylbenzene i	0.22223	View
477	2-phenylacetic acid i	-1.59781	View
478	2,4-dimethylphenol i	-1.84173	View
479	1,4-xylene i	0.22223	View
480	1,4-dichlorobenzene i	1.9693	View
481	4-chloroaniline i	-1.76844	View
482	buta-1,3-diene i	-1.07035	View
483	prop-2-enal i	-2.79419	View
484	1,2-dichloroethane i	2.20366	View
485	propanenitrile i	0.47983	View
486	prop-2-enenitrile i	-1.27102	View
487	prop-2-en-1-ol i	-2.29678	View
488	ethane-1,2-diol i	-2.29678	View
489	chloro(methoxy)methane i	-0.47674	View
490	pentan-2-one i	-1.27102	View
491	butanoic acid i	-1.59781	View
492	ethenyl acetate i	-1.59781	View
493	4-methylpentan-2-one i	-1.27102	View
494	1,3-xylene i	0.22223	View
495	(2S)-1-chloro-2-{[(2R)-1-chloropropan-2-yl]oxy}propane i	-0.47674	View
496	1,3,5-trimethylbenzene i	0.22223	View
497	1,3,5-trichlorobenzene i	1.9693	View
498	bromobenzene i	1.72538	View
499	methylcyclohexane i	-0.47674	View
500	toluene i	0.22223	View
501	4-methylpyridine i	0.94443	View
502	chlorobenzene i	1.72538	View
503	cyclohexanamine i	-2.79419	View
504	cyclohexanol i	-2.29678	View
505	cyclohexanone i	-1.27102	View
506	phenol i	-1.84173	View
507	3-methylpyridine i	0.94443	View
508	pentane i	0.22223	View
509	pent-1-ene i	-1.07035	View
510	butan-1-amine i	-2.5407	View
511	ethyl formate i	-1.59781	View
512	oxolane i	-0.81686	View
513	furan i	-0.81686	View
514	thiophene i	-0.20076	View
515	heptan-2-one i	-1.27102	View
516	hexane i	0.22223	View
517	(2-chloroethoxy)ethene i	-0.47674	View
518	cyclohexane i	-0.47674	View
519	cyclohexene i	-1.07035	View
520	pyridine i	0.94443	View
521	hexan-1-ol i	-2.29678	View
522	2-[(2-hydroxyethyl)amino]ethan-1-ol i	-1.76844	View
523	1-propoxypropane i	-0.47674	View
524	1-chloro-2-(2-chloroethoxy)ethane i	-0.47674	View
525	octane i	0.22223	View
526	oct-1-ene i	-1.07035	View
527	octan-1-ol i	-2.29678	View
528	1-chloro-2-[(2-chloroethoxy)methoxy]ethane i	-0.47674	View
529	dodecane i	0.22223	View
530	N-methyl-1-[2-(propan-2-yloxy)phenoxy]methanimidic acid i	-0.73023	View
531	methoxymethane i	-0.47674	View
532	(E)-[2-methyl-2-(methylsulfanyl)propylidene][(methyl-C-hydroxycarbonimidoyl)oxy]amine i	0.3218	View
533	hexachlorobenzene i	4.73296	View
534	2-methylbenzoic acid i	-1.59781	View
535	2-chlorobenzoic acid i	0.70051	View
536	diphenylmethanone i	-0.79274	View
537	anthracene i	1.16423	View
538	benzene-1,2-diol i	-1.84173	View
539	1,2,4-trichlorobenzene i	1.9693	View
540	2,4-dichlorophenol i	-0.89972	View
541	1-methyl-2,4-dinitrobenzene i	-0.44468	View
542	N,N-dimethylaniline i	-1.07035	View
543	1,4-diethyl (2R)-2-{[dimethoxy(sulfanylidene)-λ⁵-phosphanyl]sulfanyl}butanedioate i	-2.17322	View
544	N-[6-chloro-4-(ethylimino)-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]ethan-1-amine i	0.46615	View
545	N-phenylaniline i	-1.07035	View
546	propanal i	-2.79419	View
547	butanal i	-2.79419	View
548	1,4-dioxane i	-0.57294	View
549	decane i	0.22223	View
550	dimethylamine i	-2.09522	View
551	2-chlorobuta-1,3-diene i	0.46615	View
552	pyrene i	2.42434	View
553	8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	0.12603	View
554	naphthalen-1-amine i	-1.41537	View
555	dimethylcarbamothioylsulfanyl dimethylaminomethanedithioate i	-0.33858	View
556	2-aminoethan-1-ol i	-2.79419	View
557	cyclopentene i	-1.07035	View
558	hexanoic acid i	-1.59781	View
559	perylene i	2.42434	View
560	fluoranthene i	2.42434	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	2.42434	View
562	chrysene i	2.42434	View
563	cyclopentane i	-0.47674	View
564	cyclooctane i	-0.47674	View
565	O,O-dimethyl O-4-nitrophenyl phosphorothioate i	-0.47674	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	2.35948	View
567	1,2,3,4,5,6-Hexachlorocyclohexane i	3.09125	View
568	N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidic acid i	0.22223	View
569	N'-(3,4-dichlorophenyl)-N-methoxy-N-methylcarbamimidic acid i	0.22223	View
570	O,O-diethyl O-6-methyl-2-(propan-2-yl)pyrimidin-4-yl phosphorothioate i	1.27122	View
571	fluorobenzene i	-0.81686	View
572	2,3-dihydro-1H-indene i	-0.1179	View
573	1,2,3-trimethylbenzene i	0.22223	View
574	2-methyl-4,6-dinitrophenol i	0.36039	View
575	1,3-dichlorobenzene i	1.9693	View
576	chloro(chloromethoxy)methane i	-0.47674	View
577	2,3-dimethylnaphthalene i	-0.1179	View
578	iodobenzene i	1.72538	View
579	hexan-2-one i	-1.27102	View
580	prop-2-en-1-yl acetate i	-1.59781	View
581	penta-1,4-diene i	-1.07035	View
582	butyl formate i	-1.59781	View
583	1,2,3,4,5-pentachlorobenzene i	3.44598	View
584	nitrosodipropylamine i	-1.0383	View
585	but-3-enoic acid i	-1.84173	View
586	cyclohexa-1,4-diene i	-1.07035	View
587	pentyl acetate i	-1.59781	View
588	1,2,3,4-tetrachlorobenzene i	2.54378	View
589	1,2,3,5-tetrachlorobenzene i	2.54378	View
590	hex-1-yne i	-1.07035	View
591	N,N-dipropyl(ethylsulfanyl)formamide i	-1.16188	View
592	1-ethylnaphthalene i	-0.1179	View
593	1-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]-N-methylmethanimidic acid i	-1.07035	View
594	2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline i	1.02729	View
595	2-methoxy-2-methylpropane i	-0.47674	View
596	2,3,7,8-tetrachlorooxanthrene i	2.09756	View
597	N-[6-chloro-4-(ethylimino)-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]propan-2-amine i	0.59495	View
598	3,6-dichloro-2-methoxybenzoic acid i	-0.23282	View
599	decachloro-1,1'-biphenyl i	4.97688	View
600	3-chloro-1,1'-biphenyl i	2.39699	View
601	N,N-bis(propan-2-yl){[(2Z)-2,3-dichloroprop-2-en-1-yl]sulfanyl}formamide i	0.54901	View
602	N,N-bis(propan-2-yl)[(2,3,3-trichloroprop-2-en-1-yl)sulfanyl]formamide i	-0.36976	View
603	2,3,4,5-tetrachloro-6-methoxyphenol i	0.36039	View
604	octachlorooxanthrene i	3.35341	View
605	1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene i	3.7764	View
606	4,12-dichloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	1.39859	View
607	1-chloro-4-phenoxybenzene i	-0.47674	View
608	(2S)-2-(4-chloro-2-methylphenoxy)propanoic acid i	-1.16188	View
609	2,3,5,6-tetrachloro-7,7-bis(chloromethyl)-1-(dichloromethyl)bicyclo[2.2.1]heptane i	3.7764	View
610	N-butyl-2-{[hydroxy(methoxy)methylidene]amino}-1H-1,3-benzodiazole-1-carboximidic acid i	-0.37139	View
611	2,3,4-trichloro-1,1'-biphenyl i	3.6802	View
612	2,3,4,5,6-pentachloro-1,1'-biphenyl i	4.25468	View
613	2,3-dichloro-1,1'-biphenyl i	2.39699	View
614	2,2',3,4,5,6-hexachloro-1,1'-biphenyl i	4.4986	View
615	2,2',3,3',4,5,6-heptachloro-1,1'-biphenyl i	4.4986	View
616	1,2,3,4-tetrachlorooxanthrene i	2.09756	View
617	2,6-dinitro-4-(propan-2-yl)-N,N-dipropylaniline i	0.22223	View
618	2,7-dichlorooxanthrene i	1.05847	View
619	1,2,3,4,6,7,8-heptachlorooxanthrene i	3.01329	View
620	2,8-dichlorooxanthrene i	1.05847	View
621	octachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	3.35341	View
622	2-chlorooxanthrene i	1.05847	View
623	1,2,4-trichlorooxanthrene i	1.05847	View
624	1,2,3,4,7-pentachlorooxanthrene i	2.34148	View
625	4,5,11,12-tetrachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene i	2.09756	View
626	2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]acetamide i	1.02729	View
627	2,2',3,3',4,4',5,5',6-nonachloro-1,1'-biphenyl i	4.73296	View

Bibliography

Gramatica, P.; Papa, E. Screening and Ranking of POPs for Global Half-Life: QSAR Approaches for Prioritization Based on Molecular Structure. Environ. Sci. Technol. 2007, 41, 2833–2839. https://doi.org/10.1021/es061773b

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.

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