Molecule ID: mol17529
SMILES: COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3nonc3c2)CC1
InChI: InChI=1S/C22H27N5O3/c1-29-21-7-3-2-6-20(21)27-14-12-26(13-15-27)11-5-4-10-23-22(28)17-8-9-18-19(16-17)25-30-24-18/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,23,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.78 | Baltruschat ChEMBL | 1 » 0 |