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:233
Name:Acrylamide
Description:
Labels:
CAS:79-06-1
InChi Code:InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)

Properties

MCGM: Mammalian cell gene mutation test class

ValueSource or prediction
mutagen

experimental value

mutagen

Eq5: Model for α,β-unsaturated carbonyl compounds (Test set)