10967/111 - QDB Compounds

QsarDB Repository

Moosus, M.; Maran, U. Quantitative structure-activity relationship analysis of acute toxicity of diverse chemicals to Daphnia magna with whole molecule descriptors. SAR QSAR Environ. Res. 2011, 22, 7-8, 757–774.

Compound

ID:69
Name:4-Methylphenol
Description:
Labels:Training
CAS:106-44-5
InChi Code:InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3

Properties

logLC50: 48-h Daphnia toxicity as log(LC50) [log(mol/L)]

ValueSource or prediction
-3.71

experimental value

-4.409

Tab2: Model for diverse chemicals (Training set)

Links to External Resources