Molecule ID: mol20956
SMILES: CC(C)(O)CCS(=O)(=O)c1ccc(S(N)(=O)=O)cc1
InChI: InChI=1S/C11H17NO5S2/c1-11(2,13)7-8-18(14,15)9-3-5-10(6-4-9)19(12,16)17/h3-6,13H,7-8H2,1-2H3,(H2,12,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.28 | Baltruschat ChEMBL | 0 » -1 |
| 9.35 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |