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:148
Name:N-methyl-5-nitro-2-furanacrylamide
Description:
Labels:
CAS:14308-65-7
InChi Code:InChI=1S/C8H8N2O4/c1-9-7(11)4-2-6-3-5-8(14-6)10(12)13/h2-5H,1H3,(H,9,11)/b4-2+

Properties

AMES: Ames test mutagenicity class

ValueSource or prediction
mutagen

experimental value

mutagen

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