Molecule ID: mol9688
SMILES: Cc1csc(C(=O)O)c1
InChI: InChI=1S/C6H6O2S/c1-4-2-5(6(7)8)9-3-4/h2-3H,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.56 | QSARToolbox | 0 » -1 |
| 3.56 | IUPAC digitized pKa | 0 » -1 |
| 3.59 | IUPAC digitized pKa | 0 » -1 |
| 3.66 | Datawarrior | 0 » -1 |
| 3.66 | OCHEM | 0 » -1 |
| 3.76 | QSARToolbox | 0 » -1 |
| 3.76 | QSARToolbox | 0 » -1 |
| 3.76 | IUPAC digitized pKa | 0 » -1 |