Molecule ID: mol18254
SMILES: C/C(=N\N=C(/S)N/N=C(\S)Nc1ccccc1Cl)c1ccccn1
InChI: InChI=1S/C15H15ClN6S2/c1-10(12-7-4-5-9-17-12)19-21-15(24)22-20-14(23)18-13-8-3-2-6-11(13)16/h2-9H,1H3,(H2,18,20,23)(H2,21,22,24)/b19-10+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.94 | Baltruschat ChEMBL | 1 » 0 |
| 7.24 | Baltruschat ChEMBL | 0 » -1 |