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:	174
	Name:	2,3,3',4',5'-pentachlorobiphenyl
	Description:	(PCB 122) CAS and molfile corrected according to original data in publ. 2010. (was: 25429-29-2)
	Labels:	Training
	CAS:	76842-07-4
	InChi Code:	InChI=1S/C12H5Cl5/c13-8-3-1-2-7(11(8)16)6-4-9(14)12(17)10(15)5-6/h1-5H

Properties

PBT_Index: PBT Index i

Value	Source or prediction
5.02	experimental value
4.479	Eq1: Full model (Training set)
4.509	Eq2: Split model (Training set)

Links to External Resources

Link	Resource description
DTXSID2074243	US EPA CompTox Dashboard