Molecule ID: mol10639
SMILES: Cc1cc(C(=O)O)ccc1N
InChI: InChI=1S/C8H9NO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,9H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.62 | OCHEM | 0 » -1 |
| 4.62 | Baltruschat ChEMBL | 0 » -1 |
| 4.79 | AttenGpKa training set | 0 » -1 |