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: | 1363 | |
|---|---|---|
| Name: | (6S)-2,6-dimethyldecane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.6-dimethyldecane | |
| Labels: | ||
| CAS: | 13150-81-7 | |
| InChi Code: | InChI=1S/C12H26/c1-5-6-9-12(4)10-7-8-11(2)3/h11-12H,5-10H2,1-4H3/t12-/m0/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.315825461 |
experimental value |
| 0.611 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |