Molecule ID: mol18781
SMILES: Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]nc(N)c2c1
InChI: InChI=1S/C23H23F2N7O2/c1-14-10-28-21(29-13-23(24,25)16-5-3-2-4-6-16)22(34)32(14)12-19(33)27-11-15-7-8-18-17(9-15)20(26)31-30-18/h2-10H,11-13H2,1H3,(H,27,33)(H,28,29)(H3,26,30,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | OCHEM | 1 » 0 |
| 3.60 | Baltruschat ChEMBL | 1 » 0 |