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: | 1489 | |
|---|---|---|
| Name: | (3R)-2,2,3-trimethyldecane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2.3-trimethyl decane | |
| Labels: | ||
| CAS: | 62338-09-4 | |
| InChi Code: | InChI=1S/C13H28/c1-6-7-8-9-10-11-12(2)13(3,4)5/h12H,6-11H2,1-5H3/t12-/m1/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.975825461 |
experimental value |
| 0.7389 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |