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:147
Name:N,N'-methylene-bis-acrylamide
Description:
Labels:
CAS:110-26-9
InChi Code:InChI=1S/C7H10N2O2/c1-3-6(10)8-5-9-7(11)4-2/h3-4H,1-2,5H2,(H,8,10)(H,9,11)

Properties

AMES: Ames test mutagenicity class

ValueSource or prediction
mutagen

experimental value

non-mutagen

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