Molecule ID: mol20667
SMILES: C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)Cc2ccccc2C(N)=N1
InChI: InChI=1S/C22H18ClFN4O/c1-22(11-13-4-2-3-5-16(13)20(25)28-22)17-10-15(7-8-18(17)24)27-21(29)19-9-6-14(23)12-26-19/h2-10,12H,11H2,1H3,(H2,25,28)(H,27,29)/t22-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.80 | Baltruschat ChEMBL | 0 » -1 |