Molecule ID: mol10153
SMILES: Cc1ccc(O)cc1[N+](=O)[O-]
InChI: InChI=1S/C7H7NO3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.62 | QSARToolbox | 0 » -1 |
| 8.62 | QSARToolbox | 0 » -1 |
| 8.62 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.62 | OCHEM | 0 » -1 |
| 8.62 | OCHEM | 0 » -1 |
| 8.62 | OCHEM | 0 » -1 |
| 8.62 | OCHEM | 0 » -1 |
| 8.62 | OCHEM | 0 » -1 |
| 8.62 | OCHEM | 0 » -1 |
| 8.62 | AttenGpKa training set | 0 » -1 |
| 8.62 | IUPAC digitized pKa | 0 » -1 |
| 9.55 | QSARToolbox | 0 » -1 |
| 9.71 | QSARToolbox | 0 » -1 |