Molecule ID: mol20225
SMILES: CCCCNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChI: InChI=1S/C23H23N3/c1-2-3-16-24-17-12-14-18(15-13-17)25-23-19-8-4-6-10-21(19)26-22-11-7-5-9-20(22)23/h4-15,24H,2-3,16H2,1H3,(H,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.24 | Baltruschat ChEMBL | 1 » 0 |