Molecule ID: mol10161
SMILES: COc1cc([N+](=O)[O-])ccc1O
InChI: InChI=1S/C7H7NO4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.63 | IUPAC digitized pKa | 0 » -1 |
| 6.63 | AttenGpKa training set | 0 » -1 |
| 6.83 | OCHEM | 0 » -1 |
| 6.83 | QSARToolbox | 0 » -1 |
| 6.83 | QSARToolbox | 0 » -1 |
| 6.83 | Datawarrior | 0 » -1 |