Molecule ID: mol21363
SMILES: N=C(N)Nc1nc(-c2cccc(Nc3n[s+]([O-])nc3N)c2)cs1
InChI: InChI=1S/C12H12N8OS2/c13-9-10(20-23(21)19-9)16-7-3-1-2-6(4-7)8-5-22-12(17-8)18-11(14)15/h1-5H,(H2,13,19)(H,16,20)(H4,14,15,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.20 | Baltruschat ChEMBL | 1 » 0 |
| 8.90 | Baltruschat ChEMBL | 1 » 0 |