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: | 1364 | |
|---|---|---|
| Name: | (3S)-3-methyldecane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-methyl decane | |
| Labels: | ||
| CAS: | 13151-34-3 | |
| InChi Code: | InChI=1S/C11H24/c1-4-6-7-8-9-10-11(3)5-2/h11H,4-10H2,1-3H3/t11-/m0/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.560825461 |
experimental value |
| 0.4783 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |