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:72
Name:2-bromo-4-methylphenol
Description:
Labels:
CAS:6627-55-0
InChi Code:InChI=1S/C7H7BrO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3

Properties

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

ValueSource or prediction
0.6

experimental value

0.8291

TabS1: Polar narcotics (Taining set)

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