Molecule ID: mol2331
SMILES: COc1ccc(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C7H7NO4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.31 | QSARToolbox | 0 » -1 |
| 7.31 | QSARToolbox | 0 » -1 |
| 7.31 | IUPAC digitized pKa | 0 » -1 |
| 7.31 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.31 | OCHEM | 0 » -1 |
| 7.31 | OCHEM | 0 » -1 |
| 7.31 | OCHEM | 0 » -1 |
| 7.33 | Hunt | 0 » -1 |
| 7.39 | OCHEM | 0 » -1 |
| 7.39 | Datawarrior | 0 » -1 |
| 7.39 | OCHEM | 0 » -1 |
| 7.39 | AttenGpKa training set | 0 » -1 |
| 7.40 | IUPAC digitized pKa | 0 » -1 |
| 7.40 | QSARToolbox | 0 » -1 |
| 7.47 | QSARToolbox | 0 » -1 |
| 7.47 | QSARToolbox | 0 » -1 |
| 7.47 | IUPAC digitized pKa | 0 » -1 |
| 7.47 | IUPAC digitized pKa | 0 » -1 |
| 7.54 | IUPAC digitized pKa | 0 » -1 |