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:79
Name:1,2,4-Trichlorobenzene
Description:
Labels:Training
CAS:120-82-1
InChi Code:InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H

Properties

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

ValueSource or prediction
-3.799

experimental value

-4.9473

Tab2: Model for diverse chemicals (Training set)

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