Molecule ID: mol11037
SMILES: CS(=O)(=O)c1ccc(OCC(=O)O)cc1
InChI: InChI=1S/C9H10O5S/c1-15(12,13)8-4-2-7(3-5-8)14-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.85 | IUPAC digitized pKa | 0 » -1 |
| 2.85 | AttenGpKa training set | 0 » -1 |