Molecule ID: mol6049
SMILES: Nc1ccc(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C6H6N2O3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | AttenGpKa training set | 1 » 0 |
| 7.70 | AttenGpKa training set | 0 » -1 |
| 7.81 | OCHEM | 0 » -1 |
| 7.81 | QSARToolbox | 0 » -1 |
| 7.81 | QSARToolbox | 0 » -1 |
| 7.81 | QSARToolbox | 0 » -1 |
| 7.81 | QSARToolbox | 0 » -1 |
| 7.81 | IUPAC digitized pKa | 0 » -1 |
| 7.81 | Datawarrior | 0 » -1 |
| 7.81 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.81 | OCHEM | 0 » -1 |
| 7.81 | OCHEM | 0 » -1 |
| 7.81 | OCHEM | 0 » -1 |