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:	65
	Name:	quinoline
	Description:
	Labels:	Training
	CAS:	91-22-5
	InChi Code:	InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H

Properties

PBT_Index: PBT Index i

Value	Source or prediction
-0.61	experimental value
0.84	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID1021798	US EPA CompTox Dashboard