Molecule ID: mol9167
SMILES: C=CC(Cl)C(=O)O
InChI: InChI=1S/C4H5ClO2/c1-2-3(5)4(6)7/h2-3H,1H2,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.54 | QSARToolbox | 0 » -1 |
| 2.54 | QSARToolbox | 0 » -1 |
| 2.54 | QSARToolbox | 0 » -1 |
| 2.54 | QSARToolbox | 0 » -1 |
| 2.54 | Datawarrior | 0 » -1 |
| 2.54 | OCHEM | 0 » -1 |
| 2.54 | OCHEM | 0 » -1 |
| 2.54 | AttenGpKa training set | 0 » -1 |
| 2.55 | QSARToolbox | 0 » -1 |
| 2.55 | IUPAC digitized pKa | 0 » -1 |