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: | 1381 | |
|---|---|---|
| Name: | 1,6-ditridecyl hexanedioate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Diisotridecyl adipate | |
| Labels: | ||
| CAS: | 16958-92-2 | |
| InChi Code: | InChI=1S/C32H62O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-35-31(33)27-23-24-28-32(34)36-30-26-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.429174539 |
experimental value |
| 0.4231 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |