Molecule ID: mol20978
SMILES: CC(=O)OCCCc1ccc(S(N)(=O)=O)cc1
InChI: InChI=1S/C11H15NO4S/c1-9(13)16-8-2-3-10-4-6-11(7-5-10)17(12,14)15/h4-7H,2-3,8H2,1H3,(H2,12,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.22 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.22 | Baltruschat ChEMBL | 0 » -1 |