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:62
Name:2-chloro-5-methylphenol
Description:
Labels:
CAS:615-74-7
InChi Code:InChI=1S/C7H7ClO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3

Properties

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

ValueSource or prediction
0.39

experimental value

0.6743

TabS1: Polar narcotics (Taining set)

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