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:1
Name:N,N-diglycidylacrylamide
Description:
Labels:
CAS:87406-72-2
InChi Code:InChI=1S/C9H13NO3/c1-2-9(11)10(3-7-5-12-7)4-8-6-13-8/h2,7-8H,1,3-6H2

Properties

AMES: Ames test mutagenicity class

ValueSource or prediction
mutagen

experimental value

mutagen

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