Molecule ID: mol16335
SMILES: C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)Nc1ccc(F)cc1
InChI: InChI=1S/C24H21BrFN3O2/c1-14(27-19-10-7-18(26)8-11-19)28-20-9-4-16-12-22(30)23(21(16)13-20)29-24(31)15-2-5-17(25)6-3-15/h2-11,13,22-23,30H,12H2,1H3,(H,27,28)(H,29,31)/t22-,23-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | Baltruschat ChEMBL | 1 » 0 |