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: | 1112 | |
|---|---|---|
| Name: | 3,6,9,12,15,18,21,24-octaoxaheptatriacontan-1-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Octaethylene glycol monotridecyl ether | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C29H60O9/c1-2-3-4-5-6-7-8-9-10-11-12-14-31-16-18-33-20-22-35-24-26-37-28-29-38-27-25-36-23-21-34-19-17-32-15-13-30/h30H,2-29H2,1H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.609174539 |
experimental value |
| -0.4197 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |