Molecule ID: mol21364
SMILES: CN/C(=C\[N+](=O)[O-])Nc1ccc(-c2csc(N=C(N)N)n2)cc1
InChI: InChI=1S/C13H15N7O2S/c1-16-11(6-20(21)22)17-9-4-2-8(3-5-9)10-7-23-13(18-10)19-12(14)15/h2-7,16-17H,1H3,(H4,14,15,18,19)/b11-6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.20 | Baltruschat ChEMBL | 2 » 1 |
| 9.70 | Baltruschat ChEMBL | 0 » -1 |