Molecule ID: mol4469
SMILES: FC(F)(F)c1ccc2cccnc2c1
InChI: InChI=1S/C10H6F3N/c11-10(12,13)8-4-3-7-2-1-5-14-9(7)6-8/h1-6H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.16 | Datawarrior | 1 » 0 |
| 3.16 | AttenGpKa training set | 1 » 0 |
| 3.16 | OCHEM | 1 » 0 |