Molecule ID: mol593
SMILES: N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)cccc2N3)cc1
InChI: InChI=1S/C20H18FN5O/c21-15-2-1-3-16-17(15)18(23)25-20(24-16)8-10-26(11-9-20)19(27)14-6-4-13(12-22)5-7-14/h1-7,24H,8-11H2,(H2,23,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.00 | Hunt | 1 » 0 |
| 9.10 | Baltruschat ChEMBL | 1 » 0 |