Molecule ID: mol1966
SMILES: N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)ccc(F)c2N3)cc1
InChI: InChI=1S/C20H17F2N5O/c21-14-5-6-15(22)17-16(14)18(24)26-20(25-17)7-9-27(10-8-20)19(28)13-3-1-12(11-23)2-4-13/h1-6,25H,7-10H2,(H2,24,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.15 | Hunt | 1 » 0 |
| 8.40 | Baltruschat ChEMBL | 1 » 0 |