Molecule ID: mol19756
SMILES: Cc1c(-c2ccc(=O)n(Cc3ccccc3)n2)c2cc(Cl)cc(F)c2n1CC(=O)O
InChI: InChI=1S/C22H17ClFN3O3/c1-13-21(16-9-15(23)10-17(24)22(16)26(13)12-20(29)30)18-7-8-19(28)27(25-18)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,29,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.86 | Baltruschat ChEMBL | 0 » -1 |