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:	897
	Name:	2,6-dibromo-4-cyanophenyl octanoate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Bromoxynil octanoate
	Labels:
	CAS:	1689-99-2
	InChi Code:	InChI=1S/C15H17Br2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3

Properties

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

Value	Source or prediction
4	experimental value
3.7443	Tab2.Model_2: logKoc (Training set)

Links to External Resources

Link	Resource description
DTXSID7023932	US EPA CompTox Dashboard