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:	30
	Name:	benzene
	Description:
	Labels:	Training
	CAS:	71-43-2
	InChi Code:	InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H

Properties

PBT_Index: PBT Index i

Value	Source or prediction
-0.81	experimental value
-0.15	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID3039242	US EPA CompTox Dashboard