Molecule ID: mol12552
SMILES: COCc1ccccc1C(=O)O
InChI: InChI=1S/C9H10O3/c1-12-6-7-4-2-3-5-8(7)9(10)11/h2-5H,6H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.85 | OCHEM | 0 » -1 |
| 3.85 | QSARToolbox | 0 » -1 |
| 3.85 | QSARToolbox | 0 » -1 |
| 3.85 | Datawarrior | 0 » -1 |