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:	124
	Name:	cyclohexanone
	Description:
	Labels:	Training
	CAS:	108-94-1
	InChi Code:	InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2

Properties

PBT_Index: PBT Index i

Value	Source or prediction
-1.31	experimental value
-1.49	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID6020359	US EPA CompTox Dashboard