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: | 1501 | |
|---|---|---|
| Name: | 11-methyldodecan-1-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Isotridecanol | |
| Labels: | ||
| CAS: | 68526-86-3 | |
| InChi Code: | InChI=1S/C13H28O/c1-13(2)11-9-7-5-3-4-6-8-10-12-14/h13-14H,3-12H2,1-2H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.080825461 |
experimental value |
| -0.5291 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |