Molecule ID: mol18820
SMILES: C[n+]1cccc(/C=N/O)c1
InChI: InChI=1S/C7H8N2O/c1-9-4-2-3-7(6-9)5-8-10/h2-6H,1H3/p+1/b8-5+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.10 | QSARToolbox | 1 » 0 |
| 9.20 | QSARToolbox | 1 » 0 |
| 9.30 | AttenGpKa training set | 1 » 0 |
| 9.53 | OCHEM | 1 » 0 |
| 9.53 | Baltruschat ChEMBL | 1 » 0 |