Molecule ID: mol19708
SMILES: O=C(Nc1cc(-c2cc3c([nH]2)C2(CCNC2)CNC3=O)ccn1)c1cccc(OC(F)(F)F)c1
InChI: InChI=1S/C23H20F3N5O3/c24-23(25,26)34-15-3-1-2-14(8-15)20(32)31-18-9-13(4-6-28-18)17-10-16-19(30-17)22(5-7-27-11-22)12-29-21(16)33/h1-4,6,8-10,27,30H,5,7,11-12H2,(H,29,33)(H,28,31,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.40 | Baltruschat ChEMBL | 1 » 0 |