10967/13 - QDB Compounds

QsarDB Repository

Aptula, A.O.; Roberts, D.W.; Cronin, M.T.D.; Schultz, T.W. Chemistry-Toxicity Relationships for the Effects of Di- and Trihydroxybenzenes to Tetrahymena pyriformis. Chem. Res. Toxicol. 2005, 18, 5, 844–854.

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

IDNamepIGC50RefDetails
11,3,5-trihydroxybenzene-1.26View
22-(2-hydroxyethyl)resorcinol-0.87View
3resorcinol-0.65View
45-methylresorcinol-0.39View
54-chlororesorcinol0.13View
64,6-dichlororesorcinol0.97View
72,4,6-tribromoresorcinol1.06View
85-pentylresorcinol1.31View
92,4-dihydroxybenzophenone1.37View
104-hexylresorcinol1.80View
112-nitroresorcinol0.66View
12resorcinol monobenzoate1.11View
133-methylcatechol0.28View
144-methylcatechol0.37View
15catechol0.75View
164-chlorocatechol1.06View
174-nitrocatechol1.17View
182,3-dihydroxybenzaldehyde1.03[1]View
191,2,3-trihydroxybenzene0.85View
201,2,4-trihydroxybenzene0.44View
212,3,4-trihydroxybenzophenone0.88[1]View
224,6-dinitro-1,2,3-trihydroxybenzene1.18[1]View
23hydroquinone0.47View
24methylhydroquinone1.86View
252,3-dimethylhydroquinone1.41View
26trimethylhydroquinone1.34View
27tetramethylhydroquinone1.28View
28chlorohydroquinone1.26View
29bromohydroquinone1.68View
30tetrachlorohydroquinone2.11View
31tetrafluorohydroquinone1.84View
32phenylhydroquinone2.01View
332,5-dihydroxybenzaldehyde0.71[1]View
342,5-dichlorohydroquinone1.81[1]View
35tetrachlorocatechol1.70View
36tetrabromocatechol0.98View
37methoxyhydroquinone2.20View
382,3-dicyanohydroquinone-0.44View

Bibliography

  1. Aptula, A. O.; Roberts, D. W.; Cronin, M. T. D.; Schultz, T. W. Chemistry-Toxicity Relationships for the Effects of Di- and Trihydroxybenzenes to Tetrahymena pyriformis. Chem. Res. Toxicol. 2005, 18, 844–854. http://dx.doi.org/10.1021/tx049666n

  2. Schultz, T. W.; Sinks, G. D.; Cronin, M. T. D. Identification of Mechanisms of Toxic Action of Phenols to Tetrahymena pyriformis from Molecular Descriptors. In Quantitative Structure-Activity Relationships in Environmental Sciences; Chen, F.; Schüürmann, G., Eds.; SETAC Press; 1997.

  3. 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

  4. 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