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: | 1117 | |
|---|---|---|
| Name: | 1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: NL-63a | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C16H22F4O/c1-14(2,3)10-15(4,5)11-6-8-12(9-7-11)21-16(19,20)13(17)18/h6-9,13H,10H2,1-5H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.360825461 |
experimental value |
| 0.6047 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID50573537 | US EPA CompTox Dashboard |