Molecule ID: mol9878
SMILES: O=[N+]([O-])c1ccc(S(=O)O)cc1
InChI: InChI=1S/C6H5NO4S/c8-7(9)5-1-3-6(4-2-5)12(10)11/h1-4H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.86 | IUPAC digitized pKa | 0 » -1 |
| 1.86 | Datawarrior | 0 » -1 |
| 1.86 | OCHEM | 0 » -1 |
| 1.86 | AttenGpKa training set | 0 » -1 |
| 1.86 | QSARToolbox | 0 » -1 |
| 1.86 | QSARToolbox | 0 » -1 |
| 2.77 | IUPAC digitized pKa | 0 » -1 |