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:162
Name:N-ethyl-5-nitro-2-furanacrylamide
Description:
Labels:
CAS:6755-16-4
InChi Code:InChI=1S/C9H10N2O4/c1-2-10-8(12)5-3-7-4-6-9(15-7)11(13)14/h3-6H,2H2,1H3,(H,10,12)/b5-3+

Properties

AMES: Ames test mutagenicity class

ValueSource or prediction
mutagen

experimental value

mutagen

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