Molecule ID: mol6687
SMILES: Cn1ccnc1[N+](=O)[O-]
InChI: InChI=1S/C4H5N3O2/c1-6-3-2-5-4(6)7(8)9/h2-3H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.48 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| -0.48 | OCHEM | 1 » 0 |
| -0.48 | Baltruschat ChEMBL | 1 » 0 |
| 0.48 | Baltruschat ChEMBL | 1 » 0 |