Molecule ID: mol16633
SMILES: NS(=O)(=O)c1cc2cc(CN3CC[S+]([O-])CC3)sc2s1
InChI: InChI=1S/C11H14N2O3S4/c12-20(15,16)10-6-8-5-9(17-11(8)18-10)7-13-1-3-19(14)4-2-13/h5-6H,1-4,7H2,(H2,12,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.23 | OCHEM | 1 » 0 |
| 4.23 | Baltruschat ChEMBL | 1 » 0 |