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:	53
	Name:	phenanthrene
	Description:
	Labels:	Training
	CAS:	85-01-8
	InChi Code:	InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H

Properties

PBT_Index: PBT Index i

Value	Source or prediction
2.15	experimental value
1.99	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID6024254	US EPA CompTox Dashboard