Molecule ID: mol26402
SMILES: CC(=O)c1nc2ccccc2[nH]1
InChI: InChI=1S/C9H8N2O/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-5H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | AttenGpKa training set | 1 » 0 |
| 11.90 | AttenGpKa training set | 0 » -1 |