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:24
Name:4-hydroxy-3-methoxyphenethyl alcohol
Description:
Labels:
CAS:2380-78-1
InChi Code:InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3

Properties

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

ValueSource or prediction
-0.18

experimental value

-0.4337

TabS1: Polar narcotics (Taining set)