Molecule ID: mol17533
SMILES: COc1cccc(N2CCN(CCCCNC(=O)c3ccc4nonc4c3)CC2)c1
InChI: InChI=1S/C22H27N5O3/c1-29-19-6-4-5-18(16-19)27-13-11-26(12-14-27)10-3-2-9-23-22(28)17-7-8-20-21(15-17)25-30-24-20/h4-8,15-16H,2-3,9-14H2,1H3,(H,23,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.44 | Baltruschat ChEMBL | 1 » 0 |