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:	82
	Name:	3-chloro-4-(chloromethyl)-5-hydroxy-2(5H)-furanone
	Description:
	Labels:
	CAS:	125974-08-5
	InChi Code:	InChI=1S/C5H4Cl2O3/c6-1-2-3(7)5(9)10-4(2)8/h4,8H,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)

MCGM: Mammalian cell gene mutation test class

Value	Source or prediction
mutagen	experimental value
mutagen	Eq5: Model for α,β-unsaturated carbonyl compounds (Training set)