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:	81
	Name:	phenyloxirane
	Description:
	Labels:	Training
	CAS:	96-09-3
	InChi Code:	InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2

Properties

PBT_Index: PBT Index i

Value	Source or prediction
-0.17	experimental value
-0.27	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID2021286	US EPA CompTox Dashboard