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:	208
	Name:	N-isopropyl-5-nitro-2-furanacrylamide
	Description:
	Labels:
	CAS:	1951-56-0
	InChi Code:	InChI=1S/C10H12N2O4/c1-7(2)11-9(13)5-3-8-4-6-10(16-8)12(14)15/h3-7H,1-2H3,(H,11,13)/b5-3+

Properties

AMES: Ames test mutagenicity class

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

MCGM: Mammalian cell gene mutation test class

Value	Source or prediction
mutagen	experimental value
mutagen	Eq5: Model for α,β-unsaturated carbonyl compounds (Test set)