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:237
Name:Hexachlorocyclopentadiene
Description:
Labels:Training
CAS:77-47-4
InChi Code:InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8

Properties

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

ValueSource or prediction
-6.777

experimental value

-6.3463

Tab2: Model for diverse chemicals (Training set)

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