Molecule ID: mol12813
SMILES: Cc1cccc2c1C(=O)NC2=O
InChI: InChI=1S/C9H7NO2/c1-5-3-2-4-6-7(5)9(12)10-8(6)11/h2-4H,1H3,(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.49 | QSARToolbox | 0 » -1 |
| 10.49 | Datawarrior | 0 » -1 |
| 10.49 | OCHEM | 0 » -1 |
| 10.49 | AttenGpKa training set | 0 » -1 |
| 10.50 | QSARToolbox | 0 » -1 |