Molecule ID: mol20547
SMILES: Nc1ccc(C(=O)O)cc1O
InChI: InChI=1S/C7H7NO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,8H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.59 | OCHEM | 0 » -1 |
| 4.59 | Baltruschat ChEMBL | 0 » -1 |
| 4.59 | AttenGpKa training set | 0 » -1 |