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: | 1338 | |
|---|---|---|
| Name: | (6S)-2,2,4,4,6,8,8-heptamethylnonane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2.4.4.6.8.8-heptamethyl nonane | |
| Labels: | ||
| CAS: | 4390-04-9 | |
| InChi Code: | InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3/t13-/m0/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.810825461 |
experimental value |
| 1.0621 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |