Molecule ID: mol17849
SMILES: O=[N+]([O-])c1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc(N3CCN(Cc4ccccc4)CC3)n2)cc1
InChI: InChI=1S/C31H35N9O2/c41-40(42)28-13-11-27(12-14-28)32-29-33-30(38-19-15-36(16-20-38)23-25-7-3-1-4-8-25)35-31(34-29)39-21-17-37(18-22-39)24-26-9-5-2-6-10-26/h1-14H,15-24H2,(H,32,33,34,35)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.12 | Baltruschat ChEMBL | 4 » 3 |