Molecule ID: mol10165
SMILES: COc1ccc([N+](=O)[O-])c(O)c1
InChI: InChI=1S/C7H7NO4/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.54 | QSARToolbox | 0 » -1 |
| 6.54 | IUPAC digitized pKa | 0 » -1 |
| 6.82 | OCHEM | 0 » -1 |
| 6.82 | AttenGpKa training set | 0 » -1 |
| 7.09 | IUPAC digitized pKa | 0 » -1 |
| 7.90 | QSARToolbox | 0 » -1 |
| 7.90 | QSARToolbox | 0 » -1 |