Molecule ID: mol20544
SMILES: Nc1ccc(C(=O)O)cc1F
InChI: InChI=1S/C7H6FNO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,9H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.35 | OCHEM | 0 » -1 |
| 4.35 | Baltruschat ChEMBL | 0 » -1 |
| 4.35 | AttenGpKa training set | 0 » -1 |