Molecule ID: mol17381
SMILES: O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1
InChI: InChI=1S/C23H17F3N4O4/c24-23(25,26)17-18(14-4-2-1-3-5-14)28-33-19(17)21-27-20(29-34-21)15-8-6-13(7-9-15)10-30-11-16(12-30)22(31)32/h1-9,16H,10-12H2,(H,31,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | Baltruschat ChEMBL | 1 » 0 |