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:	88
	Name:	4-nitrophenol
	Description:
	Labels:	Training
	CAS:	100-02-7
	InChi Code:	InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H

Properties

PBT_Index: PBT Index i

Value	Source or prediction
-0.81	experimental value
-0.33	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID0021834	US EPA CompTox Dashboard