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:	66
	Name:	2-chloroacrolein
	Description:
	Labels:
	CAS:	683-51-2
	InChi Code:	InChI=1S/C3H3ClO/c1-3(4)2-5/h2H,1H2

Properties

AMES: Ames test mutagenicity class

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