Molecule ID: mol1095
SMILES: CS(=O)(=O)c1cccc(C(=O)O)c1
InChI: InChI=1S/C8H8O4S/c1-13(11,12)7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.52 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.52 | OCHEM | 0 » -1 |
| 3.52 | OCHEM | 0 » -1 |
| 3.52 | Hunt | 0 » -1 |
| 3.52 | OCHEM | 0 » -1 |
| 3.52 | OCHEM | 0 » -1 |
| 3.53 | QSARToolbox | 0 » -1 |
| 3.59 | AttenGpKa training set | 0 » -1 |
| 3.64 | QSARToolbox | 0 » -1 |
| 3.64 | QSARToolbox | 0 » -1 |