Molecule ID: mol16407
SMILES: C[C@@H]1[C@@H](N(C)C)CN1c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F
InChI: InChI=1S/C19H21F2N3O3/c1-9-14(22(2)3)8-23(9)17-13(20)6-11-16(15(17)21)24(10-4-5-10)7-12(18(11)25)19(26)27/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,26,27)/t9-,14+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.08 | Baltruschat ChEMBL | 1 » 0 |
| 8.20 | Baltruschat ChEMBL | 0 » -1 |