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: | 203 | |
|---|---|---|
| Name: | 1,2,3,4-tetrabromo-5-(3,4-dibromophenoxy)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,3,3',4,4',5-hexaBDE | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H4Br6O/c13-6-2-1-5(3-7(6)14)19-9-4-8(15)10(16)12(18)11(9)17/h1-4H |
Properties
M9.logKoa: Octanol-air partition coefficient as log(Koa)
| Value | Source or prediction |
|---|---|
| 11.97 |
experimental value |
| 11.6423 |
Tab2.Model_9: BFR logKoa (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID20786910 | US EPA CompTox Dashboard |