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:	6
	Name:	parathion
	Description:
	Labels:	Training
	CAS:	56-38-2
	InChi Code:	InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3

Properties

PBT_Index: PBT Index i

Value	Source or prediction
0.53	experimental value
0.23	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID7021100	US EPA CompTox Dashboard