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:	191
	Name:	diuron
	Description:
	Labels:	Training
	CAS:	330-54-1
	InChi Code:	InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)

Properties

PBT_Index: PBT Index i

Value	Source or prediction
0.12	experimental value
0.66	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID0020446	US EPA CompTox Dashboard