Molecule ID: mol16406
SMILES: CC1(N)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1
InChI: InChI=1S/C17H17ClFN3O3/c1-17(20)6-21(7-17)14-11(19)4-9-13(12(14)18)22(8-2-3-8)5-10(15(9)23)16(24)25/h4-5,8H,2-3,6-7,20H2,1H3,(H,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.08 | Baltruschat ChEMBL | 1 » 0 |
| 8.45 | Baltruschat ChEMBL | 0 » -1 |