Molecule ID: mol9934
SMILES: NS(=O)(=O)c1ccc(Cl)cc1
InChI: InChI=1S/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.50 | Datawarrior | 0 » -1 |
| 9.50 | OCHEM | 0 » -1 |
| 9.63 | AttenGpKa training set | 0 » -1 |
| 9.77 | IUPAC digitized pKa | 0 » -1 |
| 9.77 | QSARToolbox | 0 » -1 |
| 9.95 | Baltruschat ChEMBL | 0 » -1 |