Molecule ID: mol18171
SMILES: CCCN1CCN(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1
InChI: InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.76 | Baltruschat ChEMBL | 1 » 0 |