Molecule ID: mol16621
SMILES: CNCc1cc2sc(S(N)(=O)=O)cc2s1
InChI: InChI=1S/C8H10N2O2S3/c1-10-4-5-2-6-7(13-5)3-8(14-6)15(9,11)12/h2-3,10H,4H2,1H3,(H2,9,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.65 | OCHEM | 1 » 0 |
| 7.65 | Baltruschat ChEMBL | 1 » 0 |