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:	103
	Name:	propanenitrile
	Description:
	Labels:	Training
	CAS:	107-12-0
	InChi Code:	InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3

Properties

PBT_Index: PBT Index i

Value	Source or prediction
-1.56	experimental value
-1.35	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID1021879	US EPA CompTox Dashboard