Molecule ID: mol20945
SMILES: CC(=O)OCCS(=O)(=O)c1ccc(S(N)(=O)=O)s1
InChI: InChI=1S/C8H11NO6S3/c1-6(10)15-4-5-17(11,12)7-2-3-8(16-7)18(9,13)14/h2-3H,4-5H2,1H3,(H2,9,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.65 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.65 | Baltruschat ChEMBL | 0 » -1 |