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:	114
	Name:	3,5-dibromo-1H-1,2,4-triazole
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 3,5-dibromo-1H-1,2,4-triazole
	Labels:
	CAS:	7411-23-6
	InChi Code:	InChI=1S/C2HBr2N3/c3-1-5-2(4)7-6-1/h(H,5,6,7)

Properties

M17.logKow: The octanol-water partition coefficient as log(Kow)

Value	Source or prediction
2.24	experimental value
2.2129	Tab2.Model_17: (B)TAZ logKow (Training set)

Links to External Resources

Link	Resource description
DTXSID00225059	US EPA CompTox Dashboard