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: | 1375 | |
|---|---|---|
| Name: | hexadecane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: n-hexadecane | |
| Labels: | ||
| CAS: | 15716-08-2 | |
| InChi Code: | InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.470825461 |
experimental value |
| 1.0798 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |