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:141
Name:Pentachlorobenzene
Description:
Labels:Validation
CAS:608-93-5
InChi Code:InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H

Properties

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

ValueSource or prediction
-4.674

experimental value

-5.6421

Tab2: Model for diverse chemicals (External validation set)

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