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 |