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:	120
	Name:	4-methylpyridine
	Description:
	Labels:	Training
	CAS:	108-89-4
	InChi Code:	InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3

Properties

PBT_Index: PBT Index i

Value	Source or prediction
-0.31	experimental value
-0.21	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID4021892	US EPA CompTox Dashboard