Molecule ID: mol10635
SMILES: Cc1cccc(N)c1C(=O)O
InChI: InChI=1S/C8H9NO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,9H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | Datawarrior | 1 » 0 |
| 3.20 | OCHEM | 1 » 0 |
| 3.20 | AttenGpKa training set | 1 » 0 |
| 3.20 | QSARToolbox | 1 » 0 |
| 3.20 | QSARToolbox | 1 » 0 |