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: | 1114 | |
|---|---|---|
| Name: | 1-{4-methyl-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pentan-2-yl}-4-(1,1,2,2-tetrafluoroethoxy)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: NL-93 | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C22H22F8O2/c1-13(2)12-20(3,14-4-8-16(9-5-14)31-21(27,28)18(23)24)15-6-10-17(11-7-15)32-22(29,30)19(25)26/h4-11,13,18-19H,12H2,1-3H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 2.610825461 |
experimental value |
| 1.6777 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |