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: | 184 | |
|---|---|---|
| Name: | 1,2,3-tribromo-4-phenoxybenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,3,4-triBDE | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H7Br3O/c13-9-6-7-10(12(15)11(9)14)16-8-4-2-1-3-5-8/h1-7H |
Properties
M9.logKoa: Octanol-air partition coefficient as log(Koa)
| Value | Source or prediction |
|---|---|
| 9.37 |
experimental value |
| 8.9299 |
Tab2.Model_9: BFR logKoa (Training set) |