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:161
Name:1H-Indole
Description:
Labels:Training
CAS:120-72-9
InChi Code:InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H

Properties

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

ValueSource or prediction
-5.069

experimental value

-4.5747

Tab2: Model for diverse chemicals (Training set)

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