Molecule ID: mol9648
SMILES: O=C(O)c1cccc[n+]1[O-]
InChI: InChI=1S/C6H5NO3/c8-6(9)5-3-1-2-4-7(5)10/h1-4H,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.54 | QSARToolbox | 0 » -1 |
| 3.54 | QSARToolbox | 0 » -1 |
| 3.54 | Datawarrior | 0 » -1 |
| 3.54 | OCHEM | 0 » -1 |
| 3.55 | AttenGpKa training set | 0 » -1 |
| 3.64 | IUPAC digitized pKa | 0 » -1 |