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: | 1201 | |
|---|---|---|
| Name: | 2-amino-9,10-dihydroanthracene-9,10-dione | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-aminoanthraquinone | |
| Labels: | ||
| CAS: | 117-79-3 | |
| InChi Code: | InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -1.059174539 |
experimental value |
| -0.9822 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |