Molecule ID: mol6865
SMILES: Cc1cc(=O)[nH]n1-c1ccccc1
InChI: InChI=1S/C10H10N2O/c1-8-7-10(13)11-12(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.79 | AttenGpKa training set | 1 » 0 |
| 8.23 | AttenGpKa training set | 0 » -1 |
| 12.14 | Datawarrior | 0 » -1 |
| 12.14 | OCHEM | 0 » -1 |