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:	117
	Name:	N-(2,2-dimethylpropyl)-5-nitro-2-furanacrylamide
	Description:
	Labels:
	CAS:	97461-41-1
	InChi Code:	InChI=1S/C12H16N2O4/c1-12(2,3)8-13-10(15)6-4-9-5-7-11(18-9)14(16)17/h4-7H,8H2,1-3H3,(H,13,15)/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)