Molecule ID: mol287
SMILES: N#Cc1ccc([C@H]2[C@H]3C(O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3C[C@H](F)CN32)cc1
InChI: InChI=1S/C23H21F2N3O2/c24-16-7-3-14(4-8-16)11-28-22(29)19-18-9-17(25)12-27(18)21(20(19)23(28)30)15-5-1-13(10-26)2-6-15/h1-8,17-21,23,30H,9,11-12H2/t17-,18-,19-,20-,21-,23?/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | OCHEM | 2 » 1 |
| 3.10 | Settimo | 2 » 1 |