Molecule ID: mol17862
SMILES: O=[N+]([O-])c1ccc(Nc2nc(N3CCc4cccnc4C3)nc(N3CCc4cccnc4C3)n2)cc1
InChI: InChI=1S/C25H23N9O2/c35-34(36)20-7-5-19(6-8-20)28-23-29-24(32-13-9-17-3-1-11-26-21(17)15-32)31-25(30-23)33-14-10-18-4-2-12-27-22(18)16-33/h1-8,11-12H,9-10,13-16H2,(H,28,29,30,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.94 | Baltruschat ChEMBL | 4 » 3 |