Papa, E.; Gramatica, P. QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure. Green Chem. 2010, 12, 836-843.

Compound

	ID:	31
	Name:	methoxychlor
	Description:
	Labels:	Training
	CAS:	72-43-5
	InChi Code:	InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3

Properties

PBT_Index: PBT Index i

Value	Source or prediction
1.91	experimental value
2.93	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID9020827	US EPA CompTox Dashboard