Molecule ID: mol21173
SMILES: COc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1
InChI: InChI=1S/C11H11NO5S3/c1-17-8-2-4-9(5-3-8)19(13,14)10-6-11(18-7-10)20(12,15)16/h2-7H,1H3,(H2,12,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.78 | QSARToolbox | 0 » -1 |
| 8.78 | QSARToolbox | 0 » -1 |
| 8.78 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.78 | Baltruschat ChEMBL | 0 » -1 |