Molecule ID: mol16488
SMILES: CN1CCCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3ccccc3n2)CC1
InChI: InChI=1S/C26H34N6/c1-30-14-7-15-32(19-18-30)26-28-24-11-6-5-10-23(24)25(29-26)27-22-12-16-31(17-13-22)20-21-8-3-2-4-9-21/h2-6,8-11,22H,7,12-20H2,1H3,(H,27,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.06 | Baltruschat ChEMBL | 2 » 1 |