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:	55
	Name:	N-isobutyl-5-nitro-2-furanacrylamide
	Description:
	Labels:
	CAS:	89811-25-6
	InChi Code:	InChI=1S/C11H14N2O4/c1-8(2)7-12-10(14)5-3-9-4-6-11(17-9)13(15)16/h3-6,8H,7H2,1-2H3,(H,12,14)/b5-3+

Properties

AMES: Ames test mutagenicity class

Value	Source or prediction
mutagen	experimental value
mutagen	Eq6: Model for α,β-unsaturated carbonyl compounds (Training set)