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: | 1539 | |
|---|---|---|
| Name: | (2S,4aR,8aR)-2-(propan-2-yl)-decahydronaphthalene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-isopropyl decalin | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C13H24/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h10-13H,3-9H2,1-2H3/t11-,12+,13-/m1/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.907492161 |
experimental value |
| 0.7361 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |