Molecule ID: mol16422
SMILES: C[C@H]1[C@H](N)CN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1
InChI: InChI=1S/C17H18FN3O3/c1-8-13(19)7-20(8)15-5-14-10(4-12(15)18)16(22)11(17(23)24)6-21(14)9-2-3-9/h4-6,8-9,13H,2-3,7,19H2,1H3,(H,23,24)/t8-,13+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.46 | Baltruschat ChEMBL | 1 » 0 |