Molecule ID: mol2267
SMILES: O=[N+]([O-])c1ccc(S)cc1
InChI: InChI=1S/C6H5NO2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.42 | IUPAC digitized pKa | 0 » -1 |
| 4.50 | AttenGpKa training set | 0 » -1 |
| 4.60 | OCHEM | 0 » -1 |
| 4.60 | Hunt | 0 » -1 |
| 4.61 | QSARToolbox | 0 » -1 |
| 4.61 | QSARToolbox | 0 » -1 |
| 4.64 | OCHEM | 0 » -1 |
| 4.64 | Datawarrior | 0 » -1 |
| 4.70 | OCHEM | 0 » -1 |
| 4.72 | IUPAC digitized pKa | 0 » -1 |
| 5.10 | QSARToolbox | 0 » -1 |