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: | 1405 | |
|---|---|---|
| Name: | 3,3'-diethyl-1,1'-biphenyl | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Diethylbiphenyl | |
| Labels: | ||
| CAS: | 28575-17-9 | |
| InChi Code: | InChI=1S/C16H18/c1-3-13-7-5-9-15(11-13)16-10-6-8-14(4-2)12-16/h5-12H,3-4H2,1-2H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.240825461 |
experimental value |
| 1.0803 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |