Gramatica, P.; Chirico, N.; Papa, E.; Cassani, S.; Kovarich, S. QSARINS: A new software for the development, analysis, and validation of QSAR MLR models. Journal of Computational Chemistry 2013, 34, 2121–2132.

Compound

	ID:	178
	Name:	2-chlorodibenzo-p-dioxin
	Description:	Name corrected according to CAS and molfile according to original data in publ. 2010. (was: 2,7-dichlorodibenzo-p-dioxin)
	Labels:	Validation
	CAS:	39227-54-8
	InChi Code:	InChI=1S/C12H7ClO2/c13-8-5-6-11-12(7-8)15-10-4-2-1-3-9(10)14-11/h1-7H

Properties

PBT_Index: PBT Index i

Value	Source or prediction
1.85	experimental value
1.691	Eq1: Full model (Training set)
1.677	Eq2: Split model (Validation set)

Links to External Resources

Link	Resource description
DTXSID90192488	US EPA CompTox Dashboard