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:	130
	Name:	5-nitro-2-furanacrylic acid, pentyl ester
	Description:
	Labels:
	CAS:	91642-47-6
	InChi Code:	InChI=1S/C12H15NO5/c1-2-3-4-9-17-12(14)8-6-10-5-7-11(18-10)13(15)16/h5-8H,2-4,9H2,1H3/b8-6+

Properties

AMES: Ames test mutagenicity class

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