Molecule ID: mol18003
SMILES: CN1CCN(Cc2nc(Nc3ccc(C(F)(F)F)cc3)c3ccc(-c4ncccc4C(F)(F)F)cc3n2)CC1
InChI: InChI=1S/C27H24F6N6/c1-38-11-13-39(14-12-38)16-23-36-22-15-17(24-21(27(31,32)33)3-2-10-34-24)4-9-20(22)25(37-23)35-19-7-5-18(6-8-19)26(28,29)30/h2-10,15H,11-14,16H2,1H3,(H,35,36,37)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.68 | Baltruschat ChEMBL | 1 » 0 |