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: | 1332 | |
|---|---|---|
| Name: | (6S,10R)-2,6,10-trimethyldodecane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.6.10-trimethyl dodecane | |
| Labels: | ||
| CAS: | 3891-98-3 | |
| InChi Code: | InChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3/t14-,15+/m1/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.358325461 |
experimental value |
| 0.9601 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |