Molecule ID: mol17850
SMILES: O=[N+]([O-])c1ccc(Nc2nc(N3CCN(c4ccccc4)CC3)nc(N3CCN(c4ccccc4)CC3)n2)cc1
InChI: InChI=1S/C29H31N9O2/c39-38(40)26-13-11-23(12-14-26)30-27-31-28(36-19-15-34(16-20-36)24-7-3-1-4-8-24)33-29(32-27)37-21-17-35(18-22-37)25-9-5-2-6-10-25/h1-14H,15-22H2,(H,30,31,32,33)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.86 | Baltruschat ChEMBL | 3 » 2 |