Molecule ID: mol26450
SMILES: Cn1c(/C=N/O)nc2ccccc21
InChI: InChI=1S/C9H9N3O/c1-12-8-5-3-2-4-7(8)11-9(12)6-10-13/h2-6,13H,1H3/b10-6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.71 | AttenGpKa training set | 1 » 0 |
| 11.17 | AttenGpKa training set | 0 » -1 |