Molecule ID: mol26190
SMILES: Cc1nc2ccccc2c(=O)[nH]1
InChI: InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.15 | AttenGpKa training set | 1 » 0 |
| 10.51 | AttenGpKa training set | 0 » -1 |