Molecule ID: mol16336
SMILES: C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1ccc(F)cc1
InChI: InChI=1S/C25H23BrFN3O2/c1-15(28-14-16-2-9-20(27)10-3-16)29-21-11-6-18-12-23(31)24(22(18)13-21)30-25(32)17-4-7-19(26)8-5-17/h2-11,13,23-24,31H,12,14H2,1H3,(H,28,29)(H,30,32)/t23-,24-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.49 | Baltruschat ChEMBL | 1 » 0 |