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:	1034
	Name:	4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydropyridazin-3-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Norflurazon
	Labels:
	CAS:	27314-13-2
	InChi Code:	InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3

Properties

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

Value	Source or prediction
3.28	experimental value
2.2862	Tab2.Model_2: logKoc (Training set)