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:	846
	Name:	N-(3-bromophenyl)ethanimidic acid
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Bromoacetanilide
	Labels:
	CAS:	621-38-5
	InChi Code:	InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)

Properties

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

Value	Source or prediction
2.01	experimental value
2.18	Tab2.Model_2: logKoc (Training set)