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.

Compound

ID:26
Name:3,5-di(tert)butylcatechol
Description:
Labels:
CAS:1020-31-1
InChi Code:

Properties

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

ValueSource or prediction
2.109

experimental value

2.295

1: All benzenes (Training)

2.443

2: Selected benzenes (Training)

1.695

3: All benzenes (Training)

1.925

4: Selected benzenes (Training)