Molecule ID: mol20948
SMILES: COC(=O)c1cc(S(N)(=O)=O)ccc1S(=O)(=O)CCO
InChI: InChI=1S/C10H13NO7S2/c1-18-10(13)8-6-7(20(11,16)17)2-3-9(8)19(14,15)5-4-12/h2-3,6,12H,4-5H2,1H3,(H2,11,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.20 | Baltruschat ChEMBL | 0 » -1 |