Molecule ID: mol21167
SMILES: CNCc1ccc(C(=O)c2csc(S(N)(=O)=O)c2)cc1
InChI: InChI=1S/C13H14N2O3S2/c1-15-7-9-2-4-10(5-3-9)13(16)11-6-12(19-8-11)20(14,17)18/h2-6,8,15H,7H2,1H3,(H2,14,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.39 | Baltruschat ChEMBL | 1 » 0 |
| 9.57 | Baltruschat ChEMBL | 0 » -1 |