Molecule ID: mol32198
SMILES: O=C(C[n+]1cccc(/C=N/O)c1)Nc1nc(-c2ccccc2)cs1
InChI: InChI=1S/C17H14N4O2S/c22-16(11-21-8-4-5-13(10-21)9-18-23)20-17-19-15(12-24-17)14-6-2-1-3-7-14/h1-10,12H,11H2,(H-,19,20,22,23)/p+1/b18-9+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.85 | OCHEM | 0 » -1 |