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:	142
	Name:	parathion methyl
	Description:	Molfile has been corrected for the nitro group(s).
	Labels:	Training
	CAS:	298-00-0
	InChi Code:	InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3

Properties

PBT_Index: PBT Index i

Value	Source or prediction
0.41	experimental value
0.095	Eq1: Full model (Training set)
0.033	Eq2: Split model (Training set)

Links to External Resources

Link	Resource description
DTXSID1020855	US EPA CompTox Dashboard