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: | 1370 | |
|---|---|---|
| Name: | 2-pentyl-9,10-dihydroanthracene-9,10-dione | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-pentylanthraquinone | |
| Labels: | ||
| CAS: | 13936-21-5 | |
| InChi Code: | InChI=1S/C19H18O2/c1-2-3-4-7-13-10-11-16-17(12-13)19(21)15-9-6-5-8-14(15)18(16)20/h5-6,8-12H,2-4,7H2,1H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.200825461 |
experimental value |
| -0.1689 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |