10967/217 - QDB Compounds

QsarDB Repository

Pérez-Garrido, A.; Helguera, A. M.; López, G. C.; Cordeiro, M. N. D. S.; Escudero, A. G. A topological substructural molecular design approach for predicting mutagenesis end-points of α, β-unsaturated carbonyl compounds. Toxicology 2010, 268, 64–77.

Compound

ID:37
Name:Methyl 2-cyanoacrylate
Description:
Labels:
CAS:137-05-3
InChi Code:InChI=1S/C5H5NO2/c1-4(3-6)5(7)8-2/h1H2,2H3

Properties

AMES: Ames test mutagenicity class

ValueSource or prediction
mutagen

experimental value

mutagen

Eq6: Model for α,β-unsaturated carbonyl compounds (Training set)