Molecule ID: mol16921
SMILES: COc1cccc(CNCCCNc2ccnc3cc(Cc4cccc(C(F)(F)F)c4)ccc23)c1O
InChI: InChI=1S/C28H28F3N3O2/c1-36-26-8-3-6-21(27(26)35)18-32-12-4-13-33-24-11-14-34-25-17-20(9-10-23(24)25)15-19-5-2-7-22(16-19)28(29,30)31/h2-3,5-11,14,16-17,32,35H,4,12-13,15,18H2,1H3,(H,33,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.47 | Baltruschat ChEMBL | 1 » 0 |