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: | 1407 | |
|---|---|---|
| Name: | 1-(propan-2-yl)naphthalene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Isopropylnaphthalene | |
| Labels: | ||
| CAS: | 29253-36-9 | |
| InChi Code: | InChI=1S/C13H14/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h3-10H,1-2H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.130825461 |
experimental value |
| 0.436 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |