Molecule ID: mol21081
SMILES: CC1(c2cccc(-c3cccnc3)c2)N=C(N)c2c(F)cccc2O1
InChI: InChI=1S/C20H16FN3O/c1-20(24-19(22)18-16(21)8-3-9-17(18)25-20)15-7-2-5-13(11-15)14-6-4-10-23-12-14/h2-12H,1H3,(H2,22,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | Baltruschat ChEMBL | 1 » 0 |