Molecule ID: mol20174
SMILES: CCCNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChI: InChI=1S/C22H21N3/c1-2-15-23-16-11-13-17(14-12-16)24-22-18-7-3-5-9-20(18)25-21-10-6-4-8-19(21)22/h3-14,23H,2,15H2,1H3,(H,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.24 | Baltruschat ChEMBL | 1 » 0 |
| 8.25 | Baltruschat ChEMBL | 1 » 0 |