Molecule ID: mol21165
SMILES: Cc1ccc(S(=O)(=O)c2coc(S(N)(=O)=O)c2)cc1
InChI: InChI=1S/C11H11NO5S2/c1-8-2-4-9(5-3-8)18(13,14)10-6-11(17-7-10)19(12,15)16/h2-7H,1H3,(H2,12,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.02 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.02 | Baltruschat ChEMBL | 0 » -1 |
| 8.02 | QSARToolbox | 0 » -1 |
| 8.02 | QSARToolbox | 0 » -1 |
| 9.32 | Baltruschat ChEMBL | 0 » -1 |