Molecule ID: mol1693
SMILES: COc1ccc([N+](=O)[O-])cc1N
InChI: InChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.49 | IUPAC digitized pKa | 1 » 0 |
| 2.49 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 2.49 | OCHEM | 1 » 0 |
| 2.49 | OCHEM | 1 » 0 |
| 2.49 | Hunt | 1 » 0 |
| 2.49 | OCHEM | 1 » 0 |
| 2.49 | OCHEM | 1 » 0 |
| 2.49 | OCHEM | 1 » 0 |
| 2.49 | AttenGpKa training set | 1 » 0 |
| 2.49 | QSARToolbox | 1 » 0 |