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: | 1282 | |
|---|---|---|
| Name: | 1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Decabromodiphenyl ether | |
| Labels: | ||
| CAS: | 1163-19-5 | |
| InChi Code: | InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.161921024 |
experimental value |
| 2.1689 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |