Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	782
	Name:	1-(4-chlorophenyl)-3,3-dimethylurea
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Monuron
	Labels:
	CAS:	150-68-5
	InChi Code:	InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

Value	Source or prediction
1.95	experimental value
1.9976	Tab2.Model_2: logKoc (Training set)

Links to External Resources

Link	Resource description
DTXSID0020311	US EPA CompTox Dashboard