Molecule ID: mol20957
SMILES: COC(=O)c1cc(S(N)(=O)=O)ccc1S(=O)(=O)CCCO
InChI: InChI=1S/C11H15NO7S2/c1-19-11(14)9-7-8(21(12,17)18)3-4-10(9)20(15,16)6-2-5-13/h3-4,7,13H,2,5-6H2,1H3,(H2,12,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.90 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.90 | Baltruschat ChEMBL | 0 » -1 |