Molecule ID: mol20177
SMILES: CCCCCCNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChI: InChI=1S/C25H27N3/c1-2-3-4-9-18-26-19-14-16-20(17-15-19)27-25-21-10-5-7-12-23(21)28-24-13-8-6-11-22(24)25/h5-8,10-17,26H,2-4,9,18H2,1H3,(H,27,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.24 | Baltruschat ChEMBL | 1 » 0 |