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10967/81 - QDB Compounds

QsarDB Repository

Netzeva, T.I.; Aptula, A.O.; Chaudary, S.H.; Duffy, J.C.; Schultz, T.W.; Schüürmann, G.; Cronin, M.T.D. Structure-Activity Relationships for the Toxicity of Substituted Poly-hydroxylated Benzenes to Tetrahymena pyriformis: Influence of Free Radical Formation. QSAR Comb. Sci. 2003, 22, 6, 575–582.

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

ID Name pIGC50 Details
1 Hydroquinone 0.473 View
2 Methylhydroquinone 1.858 View
3 2,3-dimethylhydroquinone 1.413 View
4 Trimethylhydroquinone 1.342 View
5 Tetramethylhydroquinone 1.281 View
6 Methoxyhydroquinone 2.202 View
7 Phenylhydroquinone 2.005 View
8 Chlorohydroquinone 1.262 View
9 Bromohydroquinone 1.678 View
10 Tetrafluorohydroquinone 1.844 View
11 Tetrachlorohydroquinone 2.109 View
12 Catechol 0.752 View
13 Resorscinol -0.652 View
14 1,3,5-trihydroxybenzene -1.264 View
15 1,2,4-trihydroxybenzene 0.439 View
16 1,2,3-trihydroxybenzene 0.850 View
17 5-methylresorcinol -0.389 View
18 5-pentylresorcinol 1.306 View
19 4-hexylresorcinol 1.798 View
20 2-nitroresorcinol 0.658 View
21 4-chlororesorcinol 0.125 View
22 4,6-dichlororesorcinol 0.967 View
23 2,4,6-tribromoresorcinol 1.060 View
24 3-methylcatechol 0.280 View
25 4-methylcatechol 0.368 View
26 3,5-di(tert)butylcatechol 2.109 View
27 4-nitrocatechol 1.170 View
28 4-chlorocatechol 1.061 View
29 Tetrachlorocatechol 1.697 View
30 Tetrabromocatechol 0.984 View

Bibliography

  1. Netzeva, T. I.; Aptula, A. O.; Chaudary, S. H.; Duffy, J. C.; Schultz, T. W.; Schüürmann, G.; Cronin, M. T. D. Structure-Activity Relationships for the Toxicity of Substituted Poly-hydroxylated Benzenes to Tetrahymena pyriformis: Influence of Free Radical Formation. QSAR Comb. Sci. 2003, 22, 575–582. http://dx.doi.org/10.1002/qsar.200330816

  2. Schultz, T. W. TETRATOX: Tetrahymena pyriformis population growth impairment endpoint - a surrogate for fish lethality. Toxicol. Mech. Meth. 1997, 7, 289–309. http://dx.doi.org/10.1080/105172397243079