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:	54
	Name:	3-(dichloromethyl)-2,4,4-trichloro-2-butenoic acid
	Description:
	Labels:
	CAS:	97055-37-3
	InChi Code:	InChI=1S/C5H3Cl5O2/c6-2(5(11)12)1(3(7)8)4(9)10/h3-4H,(H,11,12)

Properties

AMES: Ames test mutagenicity class

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