Molecule ID: mol2082
SMILES: Cc1cc(N)ccc1[N+](=O)[O-]
InChI: InChI=1S/C7H8N2O2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.50 | IUPAC digitized pKa | 1 » 0 |
| 1.50 | Hunt | 1 » 0 |
| 1.50 | QSARToolbox | 1 » 0 |
| 1.57 | OCHEM | 1 » 0 |
| 1.57 | OCHEM | 1 » 0 |
| 1.57 | AttenGpKa training set | 1 » 0 |
| 1.64 | QSARToolbox | 1 » 0 |
| 1.64 | QSARToolbox | 1 » 0 |
| 1.64 | IUPAC digitized pKa | 1 » 0 |
| 1.64 | Datawarrior | 1 » 0 |
| 1.64 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 1.64 | OCHEM | 1 » 0 |
| 1.64 | OCHEM | 1 » 0 |
| 1.64 | OCHEM | 1 » 0 |