Molecule ID: mol1753
SMILES: C/C=C(\Cl)C(=O)O
InChI: InChI=1S/C4H5ClO2/c1-2-3(5)4(6)7/h2H,1H3,(H,6,7)/b3-2-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.80 | OCHEM | 0 » -1 |
| 2.80 | Hunt | 0 » -1 |
| 3.14 | OCHEM | 0 » -1 |
| 3.14 | OCHEM | 0 » -1 |
| 3.14 | AttenGpKa training set | 0 » -1 |
| 3.22 | Datawarrior | 0 » -1 |
| 3.22 | QSARToolbox | 0 » -1 |