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.

Compound

ID:115
Name:butyl-4-hydroxybenzoate
Description:
Labels:
CAS:94-26-8
InChi Code:InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3

Properties

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

ValueSource or prediction
1.33

experimental value

1.1509

TabS1: Polar narcotics (Taining set)