Molecule ID: mol18391
SMILES: O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)CC1)NC(c1ccc(F)cc1)c1ccc(F)cc1
InChI: InChI=1S/C31H29F5N4O/c32-26-6-1-23(2-7-26)30(24-3-8-27(33)9-4-24)38-29(41)17-21-11-14-39(15-12-21)19-22-13-16-40(20-22)28-10-5-25(18-37-28)31(34,35)36/h1-10,13,16,18,20-21,30H,11-12,14-15,17,19H2,(H,38,41)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.10 | Baltruschat ChEMBL | 1 » 0 |