Molecule ID: mol18416
SMILES: CCOc1ccc(-n2cc(/C=N/O)[n+](C)c2SC)cc1
InChI: InChI=1S/C14H17N3O2S/c1-4-19-13-7-5-11(6-8-13)17-10-12(9-15-18)16(2)14(17)20-3/h5-10H,4H2,1-3H3/p+1/b15-9+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.12 | QSARToolbox | 1 » 0 |
| 9.12 | Baltruschat ChEMBL | 1 » 0 |