Molecule ID: mol1843
SMILES: Cc1ccc(CC(=O)O)cc1
InChI: InChI=1S/C9H10O2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.36 | QSARToolbox | 0 » -1 |
| 4.36 | IUPAC digitized pKa | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | QSARToolbox | 0 » -1 |
| 4.37 | QSARToolbox | 0 » -1 |
| 4.37 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | Hunt | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | OCHEM | 0 » -1 |
| 4.37 | AttenGpKa training set | 0 » -1 |