Molecule ID: mol21192
SMILES: COc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1
InChI: InChI=1S/C12H11NO4S2/c1-17-10-4-2-8(3-5-10)12(14)9-6-11(18-7-9)19(13,15)16/h2-7H,1H3,(H2,13,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | QSARToolbox | 0 » -1 |
| 8.20 | QSARToolbox | 0 » -1 |
| 8.20 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.20 | Baltruschat ChEMBL | 0 » -1 |