Molecule ID: mol18068
SMILES: NS(=O)(=O)c1cc2cc(CNCc3ccccn3)sc2o1
InChI: InChI=1S/C13H13N3O3S2/c14-21(17,18)12-6-9-5-11(20-13(9)19-12)8-15-7-10-3-1-2-4-16-10/h1-6,15H,7-8H2,(H2,14,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.02 | Baltruschat ChEMBL | 1 » 0 |
| 9.08 | Baltruschat ChEMBL | 0 » -1 |