Molecule ID: mol1102
SMILES: CS(=O)(=O)c1ccc(C(=O)O)cc1
InChI: InChI=1S/C8H8O4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.48 | QSARToolbox | 0 » -1 |
| 3.48 | QSARToolbox | 0 » -1 |
| 3.48 | QSARToolbox | 0 » -1 |
| 3.52 | QSARToolbox | 0 » -1 |
| 3.52 | QSARToolbox | 0 » -1 |
| 3.52 | AttenGpKa training set | 0 » -1 |
| 3.64 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.64 | OCHEM | 0 » -1 |
| 3.64 | OCHEM | 0 » -1 |
| 3.64 | OCHEM | 0 » -1 |
| 3.64 | Hunt | 0 » -1 |
| 3.64 | OCHEM | 0 » -1 |
| 3.64 | OCHEM | 0 » -1 |
| 3.64 | OCHEM | 0 » -1 |
| 3.64 | OCHEM | 0 » -1 |
| 3.64 | OCHEM | 0 » -1 |