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:204
Name:N-Methylaniline
Description:
Labels:Validation
CAS:100-61-8
InChi Code:InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3

Properties

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

ValueSource or prediction
-5.787

experimental value

-4.2971

Tab2: Model for diverse chemicals (External validation set)

Links to External Resources