Molecule ID: mol9903
SMILES: NS(=O)(=O)c1ccccc1
InChI: InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.41 | QSARToolbox | 0 » -1 |
| 9.41 | QSARToolbox | 0 » -1 |
| 9.41 | QSARToolbox | 0 » -1 |
| 9.70 | OCHEM | 0 » -1 |
| 9.70 | Datawarrior | 0 » -1 |
| 9.82 | AttenGpKa training set | 0 » -1 |
| 10.00 | IUPAC digitized pKa | 0 » -1 |
| 10.00 | QSARToolbox | 0 » -1 |