Molecule ID: mol10085
SMILES: O=Cc1cc([N+](=O)[O-])ccc1O
InChI: InChI=1S/C7H5NO4/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-4,10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.42 | IUPAC digitized pKa | 0 » -1 |
| 5.51 | IUPAC digitized pKa | 0 » -1 |
| 5.51 | OCHEM | 0 » -1 |
| 5.51 | OCHEM | 0 » -1 |
| 5.51 | AttenGpKa training set | 0 » -1 |
| 5.51 | QSARToolbox | 0 » -1 |