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:	95
	Name:	benzeneacetic acid
	Description:
	Labels:	Training
	CAS:	103-82-2
	InChi Code:	InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)

Properties

PBT_Index: PBT Index i

Value	Source or prediction
-0.29	experimental value
-0.56	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID2021656	US EPA CompTox Dashboard