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: | 1119 | |
|---|---|---|
| Name: | 1-heptyl-4-(1,1,2,2-tetrafluoroethoxy)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: NL-83 | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C15H20F4O/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)20-15(18,19)14(16)17/h8-11,14H,2-7H2,1H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.290825461 |
experimental value |
| 0.5449 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |