Molecule ID: mol22713
SMILES: COc1ccc(N)cc1C(=O)O
InChI: InChI=1S/C8H9NO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,9H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | AttenGpKa training set | 1 » 0 |
| 5.43 | AttenGpKa training set | 0 » -1 |