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:	610
	Name:	N-butyl-2-{[hydroxy(methoxy)methylidene]amino}-1H-1,3-benzodiazole-1-carboximidic acid
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Benomyl
	Labels:
	CAS:	17804-35-2
	InChi Code:	InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)

Properties

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

Value	Source or prediction
2.71	experimental value
2.1394	Tab2.Model_2: logKoc (Training set)

M3.GHLI: Global half-life index i

Value	Source or prediction
-0.37139	experimental value
-1.2015	Tab2.Model_3: Global half-life index (Training set)