Molecule ID: mol14165
SMILES: Nc1ccc([N+](=O)[O-])c(F)c1
InChI: InChI=1S/C6H5FN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.30 | OCHEM | 1 » 0 |
| -0.30 | Datawarrior | 1 » 0 |
| -0.30 | AttenGpKa training set | 1 » 0 |