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: | 1353 | |
|---|---|---|
| Name: | (4S)-4-methyldodecane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-methyl dodecane | |
| Labels: | ||
| CAS: | 6117-97-1 | |
| InChi Code: | InChI=1S/C13H28/c1-4-6-7-8-9-10-12-13(3)11-5-2/h13H,4-12H2,1-3H3/t13-/m0/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.980825461 |
experimental value |
| 0.7376 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |