Molecule ID: mol3919
SMILES: O=[N+]([O-])c1c[nH]cn1
InChI: InChI=1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.50 | QSARToolbox | 1 » 0 |
| -0.05 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| -0.05 | OCHEM | 1 » 0 |
| -0.05 | OCHEM | 1 » 0 |
| -0.05 | OCHEM | 1 » 0 |
| -0.05 | AttenGpKa training set | 1 » 0 |
| 9.00 | Baltruschat ChEMBL | 0 » -1 |
| 9.20 | Baltruschat ChEMBL | 0 » -1 |
| 9.30 | AttenGpKa training set | 0 » -1 |
| 9.30 | QSARToolbox | 0 » -1 |