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: | 1320 | |
|---|---|---|
| Name: | (1R,2R,5R,6S,9R,10S)-1,2,5,6,9,10-hexabromocyclododecane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Hexabromocyclododecane (beta) | |
| Labels: | ||
| CAS: | 134237-51-7 | |
| InChi Code: | InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2/t7-,8-,9-,10+,11+,12-/m1/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 2.110825461 |
experimental value |
| 2.0073 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |