Molecule ID: mol20533
SMILES: Nc1ccc(C(=O)O)c(F)c1
InChI: InChI=1S/C7H6FNO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.13 | OCHEM | 0 » -1 |
| 4.13 | Baltruschat ChEMBL | 0 » -1 |
| 4.13 | AttenGpKa training set | 0 » -1 |