10967/126 - QDB Compounds

QsarDB Repository

Enoch, S.J.; Cronin, M.T.D.; Schultz, T.W.; Madden, J.C. An evaluation of global QSAR models for the prediction of the toxicity of phenols to Tetrahymena pyriformis. Chemosphere 2008, 71, 7, 1225–1232.

138 compounds | Property pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mol)] i

IDNamepIGC50Details
14-hydroxyphenylacetic acid -1.5View
23-hydroxybenzyl alcohol-1.04View
34-Hydroxybenzoic acid-1.02View
43-hydroxy-4-methoxybenzyl alcohol-0.99View
54-hydroxy-3-methoxybenzylamine-0.97View
64-hydroxyphenethyl alcohol-0.83View
73-hydroxybenzoic acid-0.81View
84-hydroxybenzamide-0.78View
94-hydroxy-3-methoxybenzyl alcohol-0.7View
102,6-dimethoxyphenol-0.6View
112,4,6-tris(dimethylaminomethyl)phenol-0.52View
12salicylic acid-0.51View
132-methoxyphenol-0.51View
145-methylbenzene-1,3-diol-0.39View
152-(4-hydroxyphenyl)acetonitrile-0.38View
161-(3-hydroxyphenyl)ethanone-0.38View
172-ethoxyphenol-0.36View
181-(4-hydroxyphenyl)ethanone-0.3View
193-ethoxy-4-methoxyphenol-0.3View
202-methylphenol-0.3View
212-hydroxybenzamide-0.24View
22phenol-0.21View
234-methylphenol-0.18View
244-hydroxy-3-methoxyphenethyl alcohol-0.18View
25N-(3-hydroxyphenyl)acetamide-0.16View
263-hydroxy-4-methoxybenzaldehyde-0.14View
271-(4-hydroxy-3-methoxyphenyl)ethanone-0.12View
283,5-dimethoxyphenol-0.09View
292-hydroxyethyl salicylate-0.08View
303-methylphenol-0.06View
31methyl-3-hydroxybenzoate-0.05View
324-hydroxy-3-methoxybenzaldehyde-0.03View
334-hydroxy-3-methoxybenzonitrile-0.03View
343-ethoxy-4-hydroxybenzaldehyde0.02View
354-fluorophenol0.02View
362-cyanophenol0.03View
375-fluoro-2-hydroxyacetophenone0.04View
382,4-dimethylphenol0.07View
392-tert-butyl-4,6-dimethylphenol0.08View
402,5-dimethylphenol0.08View
41methyl-4-hydroxybenzoate0.08View
423,5-dimethylphenol0.11View
433'-hydroxypropiophenone0.12View
442,3-dimethylphenol0.12View
453,4-dimethylphenol0.12View
462-ethylphenol0.16View
47syringaldehyde0.17View
48salicylhydrazide0.18View
492-chlorophenol0.18View
504-hydroxy-2-methylacetophenone0.19View
514-ethylphenol0.21View
523-ethylphenol0.23View
53salicylaldoxime0.25View
542,3,6-trimethylphenol0.28View
552,4,6-trimethylphenol0.28View
562-hydroxy-5-methylacetophenone0.31View
572-bromophenol0.33View
585-bromo-2-hydroxybenzyl alcohol0.34View
592,3,5-trimethylphenol0.36View
602-hydroxy-3-methoxybenzaldehyde0.38View
61salicylhydroxamic acid0.38View
622-chloro-5-methylphenol0.39View
632-methoxy-4-prop-2-enylphenol0.42View
642-hydroxybenzaldehyde0.42View
652,6-difluorophenol0.47View
66ethyl-3-hydroxybenzoate0.48View
674-cyanophenol0.52View
684-propyloxyphenol0.52View
694-chlorophenol0.55View
70ethyl-4-hydroxybenzoate0.57View
715-methyl-2-nitrophenol0.59View
722-bromo-4-methylphenol0.6View
732,4-difluorophenol0.6View
743-isopropylphenol0.61View
755-bromovanillin0.62View
76alpha,alpha,alpha-trifluoro-p-cresol0.62View
77methyl-4-methoxysalicylate0.62View
784-bromophenol0.68View
792-chloro-4,5-dimethylphenol0.69View
804-butoxyphenol0.7View
814-chloro-2-methylphenol0.7View
823-tert-butylphenol0.73View
832,6-dichlorophenol0.74View
842-methoxy-4-propenylphenol0.75View
853-chloro-5-methoxyphenol0.76View
864-chloro-3-methylphenol0.8View
872-isopropylphenol0.8View
882,6-dichloro-4-fluorophenol0.8View
894-iodophenol0.85View
902,2'-biphenol0.88View
914-tert-butylphenol0.91View
923,4,5-trimethylphenol0.93View
932,2',4,4'-tetrahydroxybenzophenone0.96View
944-sec-butylphenol0.98View
953-hydroxydiphenylamine1.01View
964-hydroxybenzophenone1.02View
972,4-dichlorophenol1.04View
982,4,6-tribromoresorcinol1.06View
991-(4-hydroxyphenyl)-2-phenylethanone1.07View
1004-chloro-3-ethylphenol1.08View
1012-phenylphenol1.09View
1022,5-dichlorophenol1.13View
1033-chloro-4-fluorophenol1.13View
1043-bromophenol1.15View
1056-tert-butyl-2,4-dimethylphenol1.16View
1064-chloro-3,5-dimethylphenol1.2View
1072-hydroxybenzophenone1.23View
1084-tert-pentylphenol1.23View
1094-bromo-3,5-dimethylphenol1.27View
1104-bromo-6-chloro-o-cresol1.28View
111p-cyclopentylphenol1.29View
1122-tert-butylphenol1.3View
1132-tert-butyl-4-methylphenol1.3View
1142-hydroxydiphenylmethane1.31View
115butyl-4-hydroxybenzoate1.33View
1163-phenylphenol1.35View
1174-pentoxyphenol1.36View
1182,4-dibromophenol1.4View
1192,4,6-trichlorophenol1.41View
1202-hydroxy-4-methoxybenzophenone1.42View
121isoamyl-4-hydroxybenzoate1.48View
1223,5-dichlorosalicylaldehyde1.55View
1234-cyclohexylphenol1.56View
1243,5-dichlorophenol1.57View
1253,5-di-tert-butylphenol1.64View
1263,5-dibromosalicylaldehyde1.64View
1273,4-dichlorophenol1.75View
1284-bromo-2,6-dichlorophenol1.78View
1292,6-ditert-butyl-4-methylphenol1.8View
1304-chloro-2-isopropyl-5-methylphenol1.85View
1312,4,6-tribromophenol2.03View
1324-heptyloxyphenol2.03View
1334-tert-octylphenol2.1View
1344-(4-bromophenyl)phenol2.31View
1353,5-diiodosalicylaldehyde2.34View
1362,3,5-trichlorophenol2.37View
1374-nonylphenol2.47View
138nonyl-4-hydroxybenzoate2.63View

Bibliography

  1. Enoch, S. J.; Cronin, M. T. D.; Schultz, T. W.; Madden, J. C. An evaluation of global QSAR models for the prediction of the toxicity of phenols to Tetrahymena pyriformis. Chemosphere 2008, 71, 1225–1232. http://dx.doi.org/10.1016/j.chemosphere.2007.12.011