Molecule ID: mol19554
SMILES: O=C1[C@H](NC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1
InChI: InChI=1S/C23H20F2N2O3/c24-16-5-1-14(2-6-16)20(29)13-26-21-22(15-3-11-19(28)12-4-15)27(23(21)30)18-9-7-17(25)8-10-18/h1-12,20-22,26,28-29H,13H2/t20-,21+,22+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.35 | OCHEM | 0 » -1 |
| 9.35 | Baltruschat ChEMBL | 0 » -1 |