Molecule ID: mol8981
SMILES: C#CC(=O)O
InChI: InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.79 | IUPAC digitized pKa | 0 » -1 |
| 1.84 | IUPAC digitized pKa | 0 » -1 |
| 1.84 | QSARToolbox | 0 » -1 |
| 1.84 | QSARToolbox | 0 » -1 |
| 1.87 | IUPAC digitized pKa | 0 » -1 |
| 1.87 | IUPAC digitized pKa | 0 » -1 |
| 1.89 | IUPAC digitized pKa | 0 » -1 |
| 1.89 | Datawarrior | 0 » -1 |
| 1.89 | OCHEM | 0 » -1 |
| 1.89 | OCHEM | 0 » -1 |
| 1.89 | OCHEM | 0 » -1 |
| 1.89 | OCHEM | 0 » -1 |
| 1.89 | AttenGpKa training set | 0 » -1 |
| 1.94 | IUPAC digitized pKa | 0 » -1 |
| 1.94 | QSARToolbox | 0 » -1 |
| 1.94 | QSARToolbox | 0 » -1 |
| 1.95 | IUPAC digitized pKa | 0 » -1 |
| 1.96 | IUPAC digitized pKa | 0 » -1 |
| 1.98 | IUPAC digitized pKa | 0 » -1 |