Molecule ID: mol32064
SMILES: FC(F)(F)C/N=C/Nc1ccc(-c2c[nH]cn2)cc1
InChI: InChI=1S/C12H11F3N4/c13-12(14,15)6-17-8-18-10-3-1-9(2-4-10)11-5-16-7-19-11/h1-5,7-8H,6H2,(H,16,19)(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.45 | OCHEM | 2 » 1 |
| 6.14 | OCHEM | 1 » 0 |