Molecule ID: mol21189
SMILES: Cc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1
InChI: InChI=1S/C12H11NO3S2/c1-8-2-4-9(5-3-8)12(14)10-6-11(17-7-10)18(13,15)16/h2-7H,1H3,(H2,13,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.30 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.30 | Baltruschat ChEMBL | 0 » -1 |
| 9.30 | QSARToolbox | 0 » -1 |
| 9.30 | QSARToolbox | 0 » -1 |