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:	110
	Name:	N-(1-methylpropyl)-5-nitro-2-furanacrylamide
	Description:
	Labels:
	CAS:	97461-40-0
	InChi Code:	InChI=1S/C11H14N2O4/c1-3-8(2)12-10(14)6-4-9-5-7-11(17-9)13(15)16/h4-8H,3H2,1-2H3,(H,12,14)/b6-4+

Properties

AMES: Ames test mutagenicity class

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