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: | 1116 | |
|---|---|---|
| Name: | 1-[(2S)-2-ethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]-4-(1,1,2,2-tetrafluoroethoxy)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: NL-133 | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C24H26F8O2/c1-3-5-6-15(4-2)20(16-7-11-18(12-8-16)33-23(29,30)21(25)26)17-9-13-19(14-10-17)34-24(31,32)22(27)28/h7-15,20-22H,3-6H2,1-2H3/t15-/m0/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 2.440825461 |
experimental value |
| 1.7639 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |