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:177
Name:Isothiocyanatomethane
Description:
Labels:Validation
CAS:556-61-6
InChi Code:InChI=1S/C2H3NS/c1-3-2-4/h1H3

Properties

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

ValueSource or prediction
-5.417

experimental value

-4.0345

Tab2: Model for diverse chemicals (External validation set)

Links to External Resources