Molecule ID: mol18170
SMILES: CN1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC(F)(F)F)CCCCC4)cc3)cs2)CC1
InChI: InChI=1S/C24H30F3N5O2S/c1-31-11-13-32(14-12-31)22-29-19(15-35-22)17-5-7-18(8-6-17)20(33)30-23(9-3-2-4-10-23)21(34)28-16-24(25,26)27/h5-8,15H,2-4,9-14,16H2,1H3,(H,28,34)(H,30,33)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.84 | Baltruschat ChEMBL | 1 » 0 |