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:	163
	Name:	malathion
	Description:
	Labels:	Training
	CAS:	121-75-5
	InChi Code:	InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3

Properties

PBT_Index: PBT Index i

Value	Source or prediction
-0.42	experimental value
-1.16	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID4020791	US EPA CompTox Dashboard