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: | 1529 | |
|---|---|---|
| Name: | 2-(2-{2-[(9-methyldecyl)oxy]ethoxy}ethoxy)ethan-1-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Isoundecanol ethoxylate (11-3EO) | |
| Labels: | ||
| CAS: | 169107-21-5 | |
| InChi Code: | InChI=1S/C17H36O4/c1-17(2)9-7-5-3-4-6-8-11-19-13-15-21-16-14-20-12-10-18/h17-18H,3-16H2,1-2H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.450825461 |
experimental value |
| -0.4596 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |