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:80
Name:4-butoxyphenol
Description:
Labels:
CAS:122-94-1
InChi Code:InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3

Properties

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

ValueSource or prediction
0.7

experimental value

0.9033

TabS1: Polar narcotics (Taining set)

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