Molecule ID: mol741
SMILES: Cc1ccc([N+](=O)[O-])cc1O
InChI: InChI=1S/C7H7NO3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.59 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.59 | OCHEM | 0 » -1 |
| 8.59 | OCHEM | 0 » -1 |
| 8.59 | OCHEM | 0 » -1 |
| 8.59 | OCHEM | 0 » -1 |
| 8.59 | OCHEM | 0 » -1 |
| 8.59 | OCHEM | 0 » -1 |
| 8.59 | OCHEM | 0 » -1 |
| 8.59 | AttenGpKa training set | 0 » -1 |
| 8.59 | QSARToolbox | 0 » -1 |
| 8.59 | QSARToolbox | 0 » -1 |
| 8.59 | IUPAC digitized pKa | 0 » -1 |
| 8.64 | OCHEM | 0 » -1 |
| 8.64 | Hunt | 0 » -1 |