Molecule ID: mol4468
SMILES: FC(F)(F)c1cccc2ncccc12
InChI: InChI=1S/C10H6F3N/c11-10(12,13)8-4-1-5-9-7(8)3-2-6-14-9/h1-6H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.09 | OCHEM | 1 » 0 |
| 3.09 | Datawarrior | 1 » 0 |
| 3.10 | AttenGpKa training set | 1 » 0 |