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: | 1356 | |
|---|---|---|
| Name: | (2E,4S,6R)-4,6,8-trimethylnon-2-ene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-Propene. tetramer | |
| Labels: | ||
| CAS: | 6842-15-5 | |
| InChi Code: | InChI=1S/C12H24/c1-6-7-11(4)9-12(5)8-10(2)3/h6-7,10-12H,8-9H2,1-5H3/b7-6+/t11-,12-/m1/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.510825461 |
experimental value |
| 0.937 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |