Molecule ID: mol30019
SMILES: N#Cc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3[C@@H](F)CCN32)cc1
InChI: InChI=1S/C23H19F2N3O2/c24-16-7-3-14(4-8-16)12-28-22(29)18-19(23(28)30)21-17(25)9-10-27(21)20(18)15-5-1-13(11-26)2-6-15/h1-8,17-21H,9-10,12H2/t17-,18-,19+,20-,21-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | AttenGpKa training set | 1 » 0 |