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:	189
	Name:	aldrin
	Description:
	Labels:	Training
	CAS:	309-00-2
	InChi Code:	InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2

Properties

PBT_Index: PBT Index i

Value	Source or prediction
2.45	experimental value
2.68	Eq1: Full Model (Training set)