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:	167
	Name:	N-(1,1-dimethylethyl)-5-nitro-2-furanacrylamide
	Description:
	Labels:
	CAS:	39965-42-9
	InChi Code:	InChI=1S/C11H14N2O4/c1-11(2,3)12-9(14)6-4-8-5-7-10(17-8)13(15)16/h4-7H,1-3H3,(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)