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: | 1530 | |
|---|---|---|
| Name: | 1,2,3-tribromo-4-(2,4,5-tribromophenoxy)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.3.4.4'.5'-Hexabromodiphenyl ether (BDE 138) | |
| Labels: | ||
| CAS: | 182677-30-1 | |
| InChi Code: | InChI=1S/C12H4Br6O/c13-5-1-2-9(12(18)11(5)17)19-10-4-7(15)6(14)3-8(10)16/h1-4H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.554046583 |
experimental value |
| 1.4993 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |