Molecule ID: mol13634
SMILES: Cn1cccc1C(=O)O
InChI: InChI=1S/C6H7NO2/c1-7-4-2-3-5(7)6(8)9/h2-4H,1H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.51 | Datawarrior | 0 » -1 |
| 4.51 | OCHEM | 0 » -1 |
| 4.51 | QSARToolbox | 0 » -1 |
| 4.51 | QSARToolbox | 0 » -1 |