Molecule ID: mol18258
SMILES: C/C(=N\N=C(/S)N/N=C(\S)Nc1ccccn1)c1ccccn1
InChI: InChI=1S/C14H15N7S2/c1-10(11-6-2-4-8-15-11)18-20-14(23)21-19-13(22)17-12-7-3-5-9-16-12/h2-9H,1H3,(H2,20,21,23)(H2,16,17,19,22)/b18-10+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.09 | Baltruschat ChEMBL | 2 » 1 |
| 5.87 | Baltruschat ChEMBL | 0 » -1 |
| 7.27 | Baltruschat ChEMBL | 0 » -1 |