Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR QSAR Environ. Res. 2010, 21, 7-8, 711-729.

627 compounds | Property LogBCF: Fish bioconcentration factor as logBCF

ID	Name	LogBCF	Details
t2	n-nonane	3.15	View
t3	2,4,6-trimethyl-3-heptene	3.29	View
t4	1-decene	3.22	View
t8	1-dodecene	3.4	View
t9	n-dodecane	3.23	View
t10	isodecanol	2.51	View
t11	isotridecanol	2.73	View
t15	3,5,5-trimethyl cyclohexene	2.87	View
t16	1,3,5-trimethyl cyclohexane	3.34	View
t17	cis-1,1,3,5-tetramethyl cyclohexane	3.65	View
t18	iso-butyl cyclohexane	3.3	View
t19	naphthalene	2.5	View
t20	2-methylnaphthalene	2.41	View
t22	1,3-dimethylnaphthalene	2.91	View
t24	1,3,5-trimethylbenzene	2.55	View
t27	1-hydroxy-2-tert butyl-4-methyl benzene	2.87	View
t28	acenaphthylene	2.11	View
t29	fluorene	2.78	View
t30	anthracene	2.99	View
t31	phenanthrene	3.01	View
t32	pyrene	2.56	View
t33	1-phenyl naphthalene	3.51	View
t35	9-methyl anthracene	2.72	View
t36	1-methylphenanthrene	3.18	View
t37	fluoranthene	2.71	View
t38	1-methylpyrene	2.73	View
t39	triphenylene	2.41	View
t41	chrysene	2.24	View
t42	benzo[a]pyrene	2.69	View
t44	dibenzo[a,h]anthracene	2.8	View
t46	3,6-dichlorodibenzofuran	3.01	View
t52	1,2,4-trichlorodibenzo-p-dioxin	2.97	View
t53	1,2,3,4-tetrachlorodibenzo-p-dioxin	3.5	View
t54	1,2,3,7-tetrachlorodibenzo-p-dioxin	3.35	View
t56	perfluorooctanic acid	3.12	View
t57	perfluorooctane sulfonic acid	3.73	View
t58	isoprene	1.11	View
t60	1-nonene	3.17	View
t62	2,2,4-trimethyl-1,3-pentanediol	-1	View
t63	2,2-dimethyl-1,3-propanediol	-0.42	View
t64	pentaerythritol	0.1	View
t65	diethyl ether	0.73	View
t66	n-butyl ether	1.86	View
t69	1-(2-hydroxypropoxy)propan-2-ol	0.53	View
t72	tert-butyl alcohol	0.7	View
t74	1,2,4-trimethylbenzene	2.08	View
t78	m-diethylbenzene	2.73	View
t79	m- divinylbenzene	2.55	View
t81	p-sec-butylphenol	1.31	View
t82	p-octylphenol	1.87	View
t84	2,4-di-tert-butylphenol	2.39	View
t89	p-sec-butylphenyl-2,3-dihydroxypropylether	0.63	View
t90	o-chlorophenol	1.35	View
t91	p-chlorophenol	1.5	View
t92	m-chlorophenol	1.06	View
t93	o-bromophenol	1.51	View
t94	p-bromophenol	1.17	View
t95	m-bromophenol	1.2	View
t96	4-chloro-m-cresol	0.92	View
t98	4-chloro-o-cresol	1.01	View
t100	3,4-dichlorophenol	1.69	View
t102	2,3-dichlorophenol	1.13	View
t103	2,5-dichlorophenol	1.02	View
t104	3,5-dichlorophenol	1.91	View
t106	2,3,4,6-tetrachlorophenol	1.82	View
t107	p-t-butyl benzoic acid	0.21	View
t108	o-chloro benzoic acid	1	View
t111	methylcyclohexane	2.27	View
t113	1,5,9-cyclododecatriene	3.92	View
t114	cyclododecane	3.99	View
t116	2,3,6-trichlorobenzoic acid	0.54	View
t117	4-cyclohexene-1,2-dicarboxylic acid	0.3	View
t118	2,6-dicyclohexylphenol	2.89	View
t121	2,2'-methylenebis(3,4,6-trichlorophenol)	2.07	View
t122	2,2-bis(4'-hydroxyphenyl) propane	1.64	View
t123	2-hydroxy-4-n-octoxybenzophenone	1.9	View
t124	2,2-diphenyl-2-hydroxyacetic acid	0.26	View
t125	methyl-5-norbornene-2,3-dicarboxylic acid	0.74	View
t126	2,4-dichloro-1-hydroxynaphthalene	1.35	View
t127	3-hydroxy 2-naphthoic acid	0.6	View
t128	2,6-naphthalenedicarboxylic acid	0.72	View
t129	4,5-dichloronaphtalene-1,8-dicarboxylic acid	0.18	View
t130	1-naphthol-4-sulfonic acid	1.11	View
t131	7-hydroxy -1,3-naphthalene disulfonic acid	0	View
t132	2-naphthol-3,6-disulfonic acid	0.3	View
t133	tetrahydronaphthalene	2.53	View
t134	1?isopropyl?decahydronaphthalene	3.58	View
t135	5-ethylidene-2-norbornene	2.04	View
t136	camphene	2.98	View
t137	dicyclopentadiene	2.27	View
t138	acenaphthene	2.88	View
t139	2-ethylanthraquinone	2.83	View
t140	2-pentylanthraquinone	2.91	View
t144	3,5-di-tert-butylbiphenyl-4-ol	3.78	View
t146	1-naphthaleneacetic acid	0.47	View
t147	2,4,6-trimethylphenol	0.73	View
t148	diphenylene oxide	3.18	View
t149	3-ethyl-nonane	3.32	View
t150	2,2,3-trimethyl decane	3.34	View
t151	1,1,6-trimethyl tetralin	3.33	View
t154	n-hexyl cyclohexane	3.29	View
t155	5-ethyl-1-nonene	3.43	View
t156	1,3,5-tribromobenzene	3.38	View
t160	tetrabromo-2-chlorotoluene	3.98	View
t161	pentabromotoluene	3.76	View
t162	2,2'-dichlorobiphenyl	3.53	View
t163	2,3-dichlorobiphenyl	3.72	View
t164	2,5-dichlorobiphenyl	3.86	View
t166	3,5-dichlorobiphenyl	3.11	View
t167	2,4,4'-trichlorobiphenyl	4.33	View
t168	2,4',5-trichlorobiphenyl	3.95	View
t169	2,4,5-trichlorobiphenyl	4.22	View
t171	2,2',3,3'-tetrachlorobiphenyl	4.17	View
t172	2,3',4,4'-tetrachlorobiphenyl	4.56	View
t173	2,2',3,4'-tetrachlorobiphenyl	4.53	View
t175	2,2',5,6'-tetrachlorobiphenyl	4.46	View
t176	2,3',5,5'-tetrachlorobiphenyl	4.85	View
t177	2,3,5,6-tetrachlorobiphenyl	4.71	View
t178	2,3,4,5-tetrachlorobiphenyl	4.39	View
t179	3,3',4,4'-tetrachlorobiphenyl	3.51	View
t180	2,3,4,5,6-pentachlorobiphenyl	4.85	View
t181	2,3,3',4,4'-pentachlorobiphenyl	4.28	View
t182	2,2',4,5,5'-pentachlorobiphenyl	4.63	View
t184	2,2',4,5',6-pentachlorobiphenyl	4.58	View
t185	2,2',4,6,6'-pentachlorobiphenyl	4.81	View
t188	2,3',4,4',5-pentachlorobiphenyl	4.38	View
t191	o-chlorotoluene	1.82	View
t192	p-chlorotoluene	1.68	View
t193	o-dichlorobenzene	2.24	View
t194	1,3-dichlorobenzene	2.33	View
t195	p-dibromobenzene	2.21	View
t196	3-trifluoromethyl-chlorobenzene	2.35	View
t197	1,2,3-trichlorobenzene	2.82	View
t198	1,3,5-trichlorobenzene	2.97	View
t200	1,2,4,5-tetrachlorobenzene	3.45	View
t201	pentachlorobenzene	3.49	View
t202	1,2,3,4-tetrachlorobenzene	3.04	View
t203	4,4'-dibromobiphenyl	3.57	View
t207	2,2',4,4'-tetrachlorodiphenyl ether	4.14	View
t208	2,4,4',5-tetrachlorodiphenyl ether	4.11	View
t209	2,2',4,4',6-pentachlorodiphenyl ether	3.95	View
t210	2,3',4,4'-tetrachlorodiphenyl ether	4.24	View
t212	2,2',4,4',5-pentachlorodiphenyl ether	4.21	View
t213	3,3',4,4',6-pentachlorodiphenyl ether	4.08	View
t214	hexachlorobutadiene	3.35	View
t215	chlordane	4.23	View
t216	p,p'-dichlorodiphenyldichloroethylene	4.51	View
t218	dichloromethane	1.37	View
t219	trichloromethane	0.93	View
t221	tribromomethane	1.13	View
t222	1,1,1-trichloroethane	0.46	View
t225	hexachloroethane	0.59	View
t226	bromochloromethane	0.4	View
t227	1,2-dibromoethane	0.35	View
t229	1,10-dibromodecane	1.78	View
t230	1,1,2,2-tetrabromoethane	0.74	View
t231	1,3-dibromo-2,2-bis(bromomethyl) propane	2.62	View
t232	1,2-dichloropropane	0.57	View
t233	1,2,3-trichloropropane	0.96	View
t234	1,2,2,3-tetrachloropropane	1.57	View
t235	1,1,2-trichloro-1,2,2-trifluoroethane	1.7	View
t236	1,1,2,2-tetrachloro-1,2-difluoroethane	1.78	View
t239	tetrachloroethylene	1.72	View
t240	allylchloride	0.54	View
t244	4-isopropenyl-chlorobenzene	2.84	View
t245	benzotrifluoride	1.65	View
t248	1,2,3,4,5,6-hexachlorocyclohexane	2.77	View
t249	1,2,3,4,5-pentabromo-6-chlorocyclohexane	2.41	View
t251	4,4'-dichlorobenzilic acid ethyl ester	2.68	View
t252	1,1-bis(p-chlorophenyl)-2,2,2-trichloroethanol	3.53	View
t253	2-benzoyl benzoic acid methyl ester	0.91	View
t256	1-methoxynaphthalene	2.21	View
t257	2-(2-methylpropoxy)naphthalene	2.8	View
t259	(2-chloroethoxy-phenylmethyl)benzene	2.51	View
t262	chloro-triphenyl-methane	2.64	View
t263	heptachlor	3.95	View
t266	9-octadecenylsuccinic acid	0.22	View
t268	2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol	1.97	View
t269	2,2-bis(4'-hydroxy-3',5'-dibromophenyl) propane	2.43	View
t271	benzene-1,2-dicarboxylic acid bis (2-ethylhexyl) ester	1.19	View
t272	diheptyl benzene-1,2-dicarboxylate	1.06	View
t273	bis(8-methylnonyl) benzene-1,2-dicarboxylate	1.16	View
t274	tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate	0.27	View
t276	trioctylamine	1.92	View
t277	bis(2-aminoethyl)amine	0.01	View
t279	2- (2-aminoethylamino)ethanol	0.46	View
t281	tris(2-hydroxypropyl)amine	-0.24	View
t282	2-butanone oxime	0.62	View
t284	bis(cyanoethyl)amine	-0.48	View
t286	n-methylaniline	1	View
t287	n-methylacetanilide	-0.3	View
t288	n,n-diethylaniline	1.85	View
t289	n,n-dimethylaniline	0.87	View
t290	n-ethylaniline	0.99	View
t291	4-methylphenylene-1,3-diamine	1.7	View
t293	2,5-dimethyl aniline	0.58	View
t294	diphenylamine	2.18	View
t295	n,n'-diphenyl-p-phenylenediamine	3.12	View
t296	m-phenylenediamine	0.38	View
t297	n-methyl-o-toluidine	0.72	View
t298	n-ethyl-p-toluidine	0.34	View
t299	n-methyl-m-toluidine	0.65	View
t300	o-chloroaniline	1.36	View
t301	3,4-dichloroaniline	0.94	View
t303	2,4-dichloroaniline	1.33	View
t304	4-chloro-2-methylaniline	1	View
t306	1,3-bis(aminomethyl)benzene	0.43	View
t307	n,n-dimethylbenzylamine	0.63	View
t308	2-nitroaniline	0.52	View
t312	n-nitrosodiphenylamine	1.33	View
t313	nitrobenzene	0.67	View
t314	o-nitrotoluene	1.26	View
t315	m-nitrotoluene	0.88	View
t316	p-nitrotoluene	0.8	View
t323	3-aminophenol	1.6	View
t324	4-ethoxyaniline	1	View
t327	p-nitrophenol	0.6	View
t328	o-nitroanisole	0.6	View
t330	m-nitroanisole	0.76	View
t331	2-nitro-p-cresol	0.95	View
t334	2,4,6-trichlorophenyl (4'-nitrophenyl)ether	3.11	View
t335	phthalonitrile	0	View
t336	terephthalonitrile	0.24	View
t339	3-(3,4-dichlorophenyl)-1,1-dimethyl urea	0.93	View
t340	n,n'-dicyclohexylmethanediimine	0.34	View
t342	2,2'-dichlorohydrazobenzene	3.65	View
t344	3,3'-dichloro-4,4'-diaminodiphenylmethane	2.24	View
t345	1-naphthalenamine	1.26	View
t346	1,5-diaminonaphthalene	0.65	View
t349	2-(n-phenylamino)naphthalene	2.23	View
t350	1-aminoanthraquinone	1.98	View
t351	2-aminoanthraquinone	1.51	View
t352	3,3'-dichlorobenzidine	2.16	View
t354	2-aminopyridine	1.18	View
t355	3-aminopyridine	0.32	View
t357	1,4-dioxane	-0.3	View
t358	piperazine	0.59	View
t359	2,4,6-triamino-1,3,5-triazine	0.58	View
t360	furan	0.05	View
t361	o-aminobiphenyl	1.42	View
t363	2,2'-dichlorodiethyl ether	-0.08	View
t364	trichloroacetic acid	-0.15	View
t366	thiourea	0.3	View
t368	tris(2-chloroethyl)phosphate	-0.18	View
t369	tris(1-chloropropan-2-yl) phosphate	0.51	View
t370	tris(2,3-dibromopropyl) phosphate	0.51	View
t372	tris(2-ethylhexyl) phosphate	1.19	View
t373	trimethyl phosphate	-0.52	View
t374	tri-n-butyl phosphate	1.13	View
t378	2-hydroxy-4-methoxybenzophenone	1.98	View
t380	2-mercaptobenzothiazole	0.9	View
t381	2-mercaptobenzimidazole	0.42	View
t382	phenothiazine	2.55	View
t383	dibenzothiophene	3.05	View
t384	benzothiazole	0.76	View
t385	thiophene	0.86	View
t386	perfluorotributylamine	1.42	View
t387	triallylamine	0.55	View
t388	4-chloro-1-nitro-2(trifluoromethyl) benzene	1.87	View
t389	3-nitro-p-cresol	1	View
t390	5-nitro-o-cresol	0.75	View
t391	2-nitro-p-anisidine	0.82	View
t392	2,4-dichloro-6-nitrophenol	1.31	View
t393	n,n-diethyl-m-toluamide	0.38	View
t394	m-nitrobenzoic acid	0.85	View
t398	(2-methylphenyl)methanamine	0.66	View
t402	methyl benzimidazole-2-ylcarbamate	-0.1	View
t403	5-nitrobenzimidazole	0.11	View
t404	2h-1,2,4-triazol-3-amine	0.49	View
t406	2-chloropyridine	1.28	View
t407	1-methylpiperidine	0.65	View
t408	hexa(methoxymethyl)melamine	0.28	View
t410	1,3,5-tris(2'-hydroxyethyl)isocyanuric acid	0.2	View
t411	3-hydroxy-n-phenylnaphthalene-2-carboxamide	0.81	View
t412	3,3'-dimethyl-4,4'-bis(acetoacetylamino)biphenyl	0.2	View
t413	3-[2-cyanoethyl-[4-(2,6-dichloro-4-nitrophenyl)diazenylphenyl]amino]propanenitrile	1.56	View
t416	2-carbamoyl-3,4,5,6-tetrachlorobenzoic acid	0.49	View
t422	o-ethylnitrobenzene	0.92	View
t423	bis(2,3,3,3-tetrachloropropyl) ether	3.28	View
t427	2-dimethoxyphosphinothioylsulfanyl-n-methylacetamide	-0.26	View
t431	2,2-dichloropropionic acid	0.85	View
t432	1-chloro-4-[(prop-2-yn-1-yloxy)methoxy]benzene	2.03	View
t433	dicumylperoxide	2.63	View
t434	2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol	0.79	View
t436	m-nitrobenzene sulfonic acid	0.7	View
t437	2-chloro-5-nitrobenzenesulfonic acid	0.48	View
t440	1,5,5-trimethyl-1-cyclohexen-3-one	0.14	View
t441	phenylphosphinic acid	0.78	View
t442	2-ethylhexyl diphenyl phosphate	2.49	View
t446	dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidenephosphorane	1.71	View
t448	benzenesulfonamide	0.68	View
t449	dimethoxyphosphoryloxybenzene	2.76	View
t450	phosphoric acid [(e)-2-chloro-1-(2,4,5-trichlorophenyl)vinyl] dimethyl ester	1.6	View
t451	2-diethoxyphosphinothioyloxyimino-2-phenylacetonitrile	2.62	View
t452	benzophenone	0.89	View
t453	naphthionic acid	0.78	View
t455	7-amino-4-hydroxy-2-naphthalenesulfonic acid	0.38	View
t458	4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonic acid	0.26	View
t459	1-chloroanthraquinone	2.3	View
t460	2-chloroanthraquinone	2.28	View
t463	2-amino-8-naphthol-6-sulfonic acid	0.61	View
t464	tetrahydrothiophene-1,1-dioxide	1.11	View
t465	4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxoanthracene-2,6- disulphonic acid	0.31	View
t466	5-chloro-3-[2-(1,5-dioxonaphthalen-2-yl)hydrazinyl]-2-hydroxybenzenesulfonic acid	0.58	View
t468	2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione	1.08	View
t469	disperse red 206	1.22	View
t470	1-amino-2-(4-bromophenoxy)-4-hydroxyanthracene-9,10-dione	2.05	View
t471	2-chloro-5-((2-hydroxy-1-naphthyl)azo)toluene-4-sulphonic acid	1.07	View
t472	3-hydroxy-4-((4-methyl-2-sulphophenyl)azo)-2-naphthoic acid	0.84	View
t473	2-(thiocyanatemethylthio) benzothiazole	2.32	View
p1	2,3-dimethylheptane	3.32	View
p5	2,2,4,6,6-pentamethyl-3-heptene	3.29	View
p6	2,2,4,6,6-pentamethylheptane	3.56	View
p7	2,6-dimethyldecane	3.18	View
p12	pentachlorophenol	2.5	View
p13	bicyclo[4.3.0]nonane	2.91	View
p14	t-decalin	3.52	View
p21	2,3-dimethylnaphthalene	2.71	View
p23	2,3,6-trimethylnaphthalene	3	View
p25	1,2,3,4-tetramethyl benzene	2.82	View
p26	1,2,3,4-tetrahydro-1,4-dimethyl naphthalene	3.12	View
p34	2-methyl anthracene	2.41	View
p40	benz[a]anthracene	2.54	View
p43	perylene	2.38	View
p45	2,8-dichlorodibenzofuran	3.66	View
p47	2,3-dichlorodibenzo-p-dioxin	2.88	View
p48	2,3,7,8-tetrachlorodibenzofuran	4.52	View
p49	2,7-dichlorodibenzo-p-dioxin	2.22	View
p50	1,2,3,7-tetrachlorodibenzofuran	3.41	View
p51	1,2,3,8-tetrachlorodibenzofuran	3.11	View
p55	perflurohexane sulfonic acid	3.6	View
p59	2,4,4-trimethylpent-1-ene	2.79	View
p61	2,5-dimethylhexa-2,4-diene	2.31	View
p67	diisopentylether	2.24	View
p68	2-ethylhexylvinylether	2.77	View
p70	2,3-dibromo succinic acid	0.81	View
p71	di-(2-ethylhexyl) phosphoric acid	0.64	View
p73	alpha-methylstyrene	1.8	View
p75	1-ethenyl-2-ethylbenzene	2.57	View
p76	m-cymene	2.73	View
p77	p-diethylbenzene	2.68	View
p80	p-tert-butylphenol	1.83	View
p83	2,6-di-sec-butylphenol	2.55	View
p85	2,6-di-tert-butyl-p-cresol	3.03	View
p86	2,4,6-tri-tert-butylphenol	4.14	View
p87	2,6-di-t-butyl-4-ethylphenol	3.46	View
p88	4-(phenylmethyl)phenol	1.32	View
p97	6-chloro-m-cresol	0.53	View
p99	2,6-dichlorophenol	1.03	View
p101	2,4-dichlorophenol	1.53	View
p105	2,4,5-trichlorophenol	2.72	View
p109	4-tetradecyl-benzenesulfonic acid	0.52	View
p110	4-vinyl-1-cyclohexene	2.2	View
p112	cyclohexane	1.92	View
p115	menthol	0.89	View
p119	diphenyl methane	2.94	View
p120	2,2'-dihydroxy-5,5'-dichlorodiphenylmethane	2.28	View
p141	1-hydroxyanthraquinone	2.26	View
p142	7,12?dihydrotetraphene?7,12?dione	1.69	View
p143	benzanthrone	2.11	View
p145	1,4-dimethyl-2-(phenylmethyl)benzene	3.14	View
p152	1,4-diisopropyl cyclohexane	3.5	View
p153	1-isobutyl 2,5 dimethyl cyclohexane	3.37	View
p157	1,2,4-tribromobenzene	3.34	View
p158	1,2,3,4-tetrabromobenzene	3.18	View
p159	hexachlorobenzene	4.23	View
p165	3,3'-dichlorobiphenyl	2.63	View
p170	2,2',5,5'-tetrachlorobiphenyl	4.44	View
p174	2,2',4,5'-tetrachlorobiphenyl	4.26	View
p183	2,3,4,2',5'-pentachlorobiphenyl	4.02	View
p186	2,3',4,4',6-pentachlorobiphenyl	4.81	View
p187	3,3',4,4',5-pentachlorobiphenyl	4.68	View
p189	monochlorobenzene	1.13	View
p190	bromobenzene	1.35	View
p199	1,2,4-trichlorobenzene	2.86	View
p204	1,2,3,4-tetrachloronaphthalene	3.33	View
p205	tris(4-chlorophenyl)methanol	3.95	View
p206	2,4,4'-trichlorodiphenyl ether	3.79	View
p211	3,3',4,4'-tetrachlorodiphenyl ether	4.17	View
p217	4,4'-dichlorodiphenyltrichloroethane	4.57	View
p220	carbontetrachloride	0.87	View
p223	1,1,2-trichloroethane	0.67	View
p224	1,1,2,2-tetrachloroethane	0.93	View
p228	1-chlorobutane	1.15	View
p237	1,1-dichloroethylene	0.95	View
p238	trichloroethylene	1	View
p241	1,1,1,3,3,3-hexafluoro-2-propanol	0.3	View
p242	1,1,1-trichloro-2-methyl-2-propanol	0.23	View
p243	dibromoneopentylglycol	-0.04	View
p246	diphenyl ether	2.51	View
p247	dibenzylether	2.43	View
p250	chlorocyclohexane	2.34	View
p254	endrin	3.87	View
p255	aldrin	3.74	View
p258	1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid	0.32	View
p260	1-(2-chlorophenyl)ethane-1,2-diol	0.54	View
p261	2,4,4'-trichloro-2'-hydroxydiphenyl ether	1.72	View
p264	n-pentadecane	1.22	View
p265	2,2,4,4,6,8,8-heptamethylnonane	1.98	View
p267	1,3,5-tri-tert-butylbenzene	4.37	View
p270	decabromodiphenyl	0.6	View
p275	triethylamine	0.69	View
p278	2-nitropropane	0.92	View
p280	triethanolamine	0.59	View
p283	dimethylformamide	-0.13	View
p285	1-cyanoguanidine	0.49	View
p292	3,4-dimethylaniline	0.42	View
p302	2,5-dichloroaniline	1.19	View
p305	2,4,6-trichloroaniline	2	View
p309	3-nitroaniline	0.34	View
p310	4-nitroaniline	0.5	View
p311	4-chloro-2-nitroaniline	1	View
p317	o-chloronitrobenzene	1.17	View
p318	p-chloronitrobenzene	1.11	View
p319	3,4-dinitrotoluene	0.43	View
p320	1,2-dichloro-4-nitrobenzene	1.71	View
p321	n,n'-diphenylguanidine	1.3	View
p322	1-amino-2-methoxy-5-methyl-benzene	1.4	View
p325	n-acetyl-4-ethoxyaniline	1.48	View
p326	o-nitrophenol	1.34	View
p329	4-nitrophenyl methylether	1.09	View
p332	4-nitro-m-cresol	1.06	View
p333	2,4-dinitrophenol	0.57	View
p337	1,3-dicyanobenzene	0.75	View
p338	n-(3,4-dichlorophenyl)-n'-methoxy-n'-methyl urea	1.26	View
p343	4,4'-diaminodiphenylmethane	0.96	View
p347	1,8-diaminonaphthalene	0.71	View
p348	1-(n-phenylamino)naphthalene	3.23	View
p353	4-aminopyridine	0.65	View
p356	quinoline	0	View
p362	3,3'-dimethylbenzidine	1.67	View
p365	dimethyl sulfoxide	0.6	View
p367	tris(1,3-dichloropropan-2-yl) phosphate	0.13	View
p371	triethyl phosphate	-0.21	View
p375	tris(2-butoxyethyl) phosphate	0.76	View
p377	p-phenylphenol	1.59	View
p379	3-methylthiophene	0.58	View
p395	3-nitrophthalic acid	0.72	View
p396	3,5-xylyl n-methylcarbamate	0.28	View
p397	o-cumenyl methylcarbamate	0.37	View
p399	p-(methylamino) benzoic acid	0.38	View
p400	n-cyclohexyl-n-nitroso hydroxylamine	0.62	View
p401	carbazole	2.07	View
p405	4-vinylpyridine	1.86	View
p409	isocyanuric acid	-0.3	View
p414	2-[2-cyanoethyl-[4-(4-nitrophenyl)diazenylphenyl]amino]ethyl benzoate	0.83	View
p415	2-[2-acetyloxyethyl-[4-(2-chloro-4-nitrophenyl)diazenyl-3-(propanoylamino)phenyl]amino]ethyl acetate	0.73	View
p417	2-(2'-hydroxy-3',5'-di-t-butylphenyl)-5-chlorobenzotriazole	1	View
p419	2-isopropyl-4-methyl-6-hydroxypyrimidine	-0.38	View
p421	pyridine-2,5-dicarboxylic acid	0.76	View
p424	bis(1-methyl-2-chloroethyl)ether	0.85	View
p425	p-acetaldehyde	-0.52	View
p426	triallylphosphate	0.08	View
p435	o-toluenesulfonamide	0.26	View
p438	5-chloro-2-[4-chloro-2-[(3,4-dichlorophenyl)carbamoylamino]phenoxy]benzenesulfonic acid	1.87	View
p439	1,1-bis(tert-butyldioxy)-3,3,5-trimethyl cyclohexane	3.96	View
p443	isodecyl diphenyl phosphate	2.83	View
p444	diphenyl tridecyl phosphite	2.05	View
p445	tris(2-propan-2-ylphenyl) phosphate	1.5	View
p447	ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidenephosphorane	2.97	View
p454	2-aminonaphthalene-1-sulfonic acid	0.78	View
p456	1-amino-8-naphthol-3,6-disulfonic acid	0.46	View
p457	4-amino-5-hydroxynaphthalene-1,3-disulfonic acid	0.9	View
p461	3,3'-dichloro-5,5'-benzidine disulfonic acid	0.2	View
p462	5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid	0.28	View
p467	3-nitro-n-phenyl-4-(phenylamino)benzenesulfonamide	1.61	View
e2	2,6-dichlorobenzoic acid	-0.22	View
e6	3,4-dichlorobenzoic acid	-0.17	View
e8	fenthion	2.07	View
e11	parathion	1.99	View
e21	aniline	0.20	View
e23	dichlorvos	-0.20	View
e24	cycloheximide	-0.04	View
e40	dichlorodifluoromethane	0.87	View
e41	2,2-dimethylpropanoic acid	0.22	View
e50	hexachlorocyclopentadiene	1.18	View
e68	2,4,6-trinitro-5-tertbutyl-1,3-xylene	3.61	View
e76	rotenone	1.41	View
e78	2,5-dichloro-4-(3-methyl-5-oxo-4h-pyrazol-1-yl)benzenesulfonic acid	0.98	View
e79	dibutyl phthalate	2.23	View
e83	butyl benzyl phthalate	1.09	View
e84	scarlet red	0.75	View
e89	2,4,6-trichloroanisole	2.81	View
e96	2,4,6-trichlorophenol	1.94	View
e98	2-amino-5-methyl-benzenesulfonic acid	0.10	View
e103	dinoseb	0.38	View
e104	picric acid	-0.14	View
e112	4,4'-bis(dimethylamino)benzophenone	1.59	View
e118	2-chloronaphthalene	3.63	View
e128	orthocresol	1.03	View
e144	1,2-dibromo-3-chloropropane	1.15	View
e147	imidazolidine-2-thione	-0.13	View
e160	alpha-methylbenzylamine	0.64	View
e165	1,3-dinitrobenzene	0.77	View
e172	1,4-dinitrobenzene	-0.40	View
e177	triphenyl phosphite	2.39	View
e190	4-nonylphenol	2.43	View
e191	4-chlorobenzaldehyde	0.34	View
e196	paradichlorobenzene	2.47	View
e197	4-chloroaniline	0.23	View
e202	1,3-dibromobenzene	2.78	View
e203	3-chloroaniline	0.12	View
e214	phenol	1.24	View
e219	n-[2-(octadecanoylamino)ethyl]octadecanamide	0.32	View
e222	morpholine	0.13	View
e238	n-ethyl-1-naphthalenamine	2.36	View
e240	2,4,6-tribromophenol	2.71	View
e243	pyridafenthion	0.66	View
e246	(4-chlorophenyl)-phenylmethanol	1.84	View
e251	[[4-(benzoyloxyimino)-1-cyclohexa-2,5-dienylidene]amino] benzoate	0.45	View
e252	thiuram mt	1.12	View
e254	2,2'-dibenzothiazyl disulfide	1.14	View
e257	2,4-dinitrotoluene	0.88	View
e260	malathion	1.00	View
e264	simazine	0.79	View
e288	thiram	0.53	View
e301	disulfoton sulfone	0.34	View
e302	disulfoton sulfoxide	0.00	View
e303	disulfoton	2.60	View
e304	dibenz(a,h)acridine	2.03	View
e305	fenthoate	1.46	View
e307	diethoxy-sulfanyl-sulfanylidenephosphorane	0.20	View
e309	triclofos	0.08	View
e312	3,4-dichlorobenzotrifluoride	3.18	View
e315	diazinon	1.70	View
e323	2-(3-oxo-1h-indol-2-ylidene)-1h-indol-3-one	0.40	View
e327	nanofin	0.20	View
e332	hemimellitene	2.31	View
e335	antinonnin	0.16	View
e341	hexadecane	1.65	View
e343	3-nitrophenol	1.40	View
e349	constonate	0.46	View
e358	2,6-dinitrotoluene	1.34	View
e363	cis-1,2-cyclohexanedicarboxylic acid	-0.20	View
e377	2,3,4-trichloroaniline	2.00	View
e378	1,2,3,5-tetrachlorobenzene	3.12	View
e379	3,4,5-trichloroaniline	2.36	View
e381	1,2,4,5-tetrabromobenzene	3.80	View
e382	2,4,5-trichloroaniline	2.33	View
e384	hexamethylphosphoramide	-0.80	View
e386	phosmet	0.26	View
e388	3,4-dichloro-1-butene	0.58	View
e390	4-cyanophenol	0.91	View
e398	3-chlorobenzyl alcohol	1.32	View
e399	9-methyl-phenanthrene	2.56	View
e402	2,3,5,6-tetrachlorophenol	2.15	View
e403	1,2,3,4-tetrachloro-5-methoxybenzene	3.35	View
e404	benzene, 1,2,3,4-tetrachloro-5,6-dimethoxy-	4.40	View
e405	1-azacyclotridecan-2-one	0.24	View
e406	9-chlorophenanthrene	3.60	View
e407	methidathion	0.49	View
e409	simetryn	0.31	View
e413	decabromobiphenyl ether	1.20	View
e414	n,n'-dicyclohexylthiourea	0.64	View
e420	2-(1-cyclohexenyl)cyclohexanone	0.60	View
e422	trifluralin	3.51	View
e424	nereistoxin	1.74	View
e427	2,3,7,8-tetrachlorodibenzo-p-dioxin	4.57	View
e429	3,4-dichlorobenzyl alcohol	0.45	View
e431	naphthalene, 1,4-dichloro-	3.75	View
e435	chlorothalonil	1.12	View
e436	atrazine	0.40	View
e437	tartrazine	-0.03	View
e438	2-isopropylnaphthalene	4.11	View
e441	4,4'-dichlorobiphenyl	3.58	View
e448	2-methylisoborneol	1.48	View
e450	2,4,2',4'-tetrachlorobiphenyl	4.39	View
e451	1,2,3,4,6,7,7-heptachlorobicyclo[2.2.1]hept-2-ene	4.05	View
e452	auramine hydrochloride	1.04	View
e459	1-octadecanethiol	-0.04	View
e460	chlorpyrifos	3.06	View
e468	1,2,3,4,7,7-hexachloronorbornadiene	3.81	View
e469	benzidine orange	0.60	View
e471	9-ethyl-phenanthrene	2.71	View
e472	dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidenephosphorane	0.10	View
e473	dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidenephosphorane	0.51	View
e474	fenobucarb	0.49	View
e475	dioxabenzofos	0.89	View
e476	n,n'-dioctadecylurea	1.48	View
e479	2-[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol	2.26	View
e491	di-2-naphthyl disulfide	0.39	View
e492	4-ethylbiphenyl	2.82	View
e493	1,2,4-trichloro-5-methoxy-benzene	2.78	View
e494	1,4-dimethyl-2-(1-phenylethyl)-benzene	2.86	View
e495	2-[2-chloro-4-[3-chloro-4-[1,3-dioxo-1-(phenylamino)butan-2-yl]diazenylphenyl]phenyl]diazenyl-3-oxo-n-phenylbutanamide	0.62	View
e497	2,4,5-trichloro-toluene	3.68	View
e504	4-isobutylmorpholine	0.13	View
e506	decyl disulfide	1.15	View
e509	1,8-dihydroxy-4-nitro-5-(phenylamino)anthracene-9,10-dione	1.29	View
e513	kitazine	1.51	View
e514	synepirin 500	3.16	View
e515	4-methyl-2,4-bis-(p-hydroxyphenyl)pent-1-ene	1.59	View
e525	3-benzylidene camphor	2.54	View
e526	2,6-dichlorobenzenemethanol	0.40	View
e529	alachlor	1.12	View
e535	1,2,3-trichloro-4,5-dimethoxybenzene	3.50	View
e539	1,3,5-trichloro-2-nitrobenzene	2.52	View
e540	5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one	2.09	View
e546	1,2-dinitrobenzene	1.08	View
e548	2,3-dinitrotoluene	0.78	View
e549	1,2,3-trichloro-4-phenylbenzene	4.16	View
e554	nonoxynol 30	1.14	View
e555	1,4-di(phenyl)benzene	2.01	View
e556	4-(2,4,6-trichlorophenoxy)aniline	1.95	View
e557	2-octyl-1,2-thiazol-3-one	2.22	View
e558	1,2,3,4,5-pentachloro-6-(2-chlorophenyl)benzene	3.89	View
e559	n,n-bis(octylphenyl)amine	0.50	View
e561	2?hydroxyethyl octacosanoate	1.27	View
e565	benthiocarb	2.36	View
e567	1,2,3,4,5,6-hexachlorobicyclo[2.2.1]hepta-2,5-diene	3.81	View
e568	heptachloronorbornene	4.05	View
e569	1-propan-2-ylnaphthalene	3.10	View
e585	2,2',4,4',5,5'-hexachlorobiphenyl	5.69	View
e587	1,3,5-tribromo-2-(2,3-dibromo-2-methylpropoxy)benzene	4.31	View
e592	1,2-diisopropyl naphthalene	3.58	View
e596	4-cyano-4'-hexylbiphenyl	3.64	View
e600	4-[(4-amino-2,3-dichlorophenyl)methyl]-2,3-dichloroaniline	3.36	View
e602	1,2,4-trichloro-3-methoxy-benzene	2.53	View
e606	2,4-dichloro-1-phenoxybenzene	3.97	View
e607	1,2,4-trichloro-5-phenoxybenzene	3.64	View
e608	2,3,4-trichloroanisole	2.96	View
e609	1,2,5-trichloro-3-methoxybenzene	3.09	View
e614	4-methylcyclohexane-1,2-dicarboxylic acid	-0.16	View
e625	disperse blue143	0.63	View
e629	halmark	3.17	View
e630	3-(4-tert-butylphenyl)-2-methylpropanoic acid	0.34	View
e637	tebufenpyrad	1.13	View

Bibliography

Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR and QSAR in Environmental Research 2010, 21, 711-729. https://doi.org/10.1080/1062936X.2010.528596
Dimitrov, S.; Dimitrova, N.; Parkerton, T.; Comber, M.; Bonnell, M.; Mekenyan, O. Base-line model for identifying the bioaccumulation potential of chemicals. SAR and QSAR in Environmental Research 2005, 16, 531-554. https://doi.org/10.1080/10659360500474623
Arnot, J. A.; Gobas, F. A. A review of bioconcentration factor (BCF) and bioaccumulation factor (BAF) assessments for organic chemicals in aquatic organisms. Environmental Reviews 2006, 14, 257-297. https://doi.org/10.1139/a06-005
Establishing a bioconcentration factor (BCF) gold standard database. http://ambit.sourceforge.net/euras/

10967/115 - QDB Compounds

QsarDB Repository

Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR QSAR Environ. Res. 2010, 21, 7-8, 711-729.

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