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:	896
	Name:	3,5-dibromo-4-hydroxybenzonitrile
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Bromoxynil
	Labels:
	CAS:	1689-84-5
	InChi Code:	InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H

Properties

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

Value	Source or prediction
2.28	experimental value
2.6567	Tab2.Model_2: logKoc (Training set)

Links to External Resources

Link	Resource description
DTXSID3022162	US EPA CompTox Dashboard