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:123
Name:4-Chlorophenol
Description:
Labels:Validation
CAS:106-48-9
InChi Code:InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H

Properties

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

ValueSource or prediction
-4.426

experimental value

-4.3747

Tab2: Model for diverse chemicals (External validation set)

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