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: | 1385 | |
|---|---|---|
| Name: | 3-ethylnonane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-ethyl-nonane | |
| Labels: | ||
| CAS: | 17302-11-3 | |
| InChi Code: | InChI=1S/C11H24/c1-4-7-8-9-10-11(5-2)6-3/h11H,4-10H2,1-3H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.750825461 |
experimental value |
| 0.4844 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |