Molecule ID: mol9117
SMILES: O=C(O)C#CC(=O)O
InChI: InChI=1S/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.46 | QSARToolbox | 0 » -1 |
| 0.89 | AttenGpKa training set | 0 » -1 |
| 1.04 | IUPAC digitized pKa | 0 » -1 |
| 1.23 | IUPAC digitized pKa | 0 » -1 |
| 1.30 | IUPAC digitized pKa | 0 » -1 |
| 1.73 | QSARToolbox | 0 » -1 |
| 1.75 | OCHEM | 0 » -1 |
| 1.75 | OCHEM | 0 » -1 |
| 2.23 | AttenGpKa training set | -1 » -2 |
| 2.50 | IUPAC digitized pKa | -1 » -2 |
| 2.53 | IUPAC digitized pKa | -1 » -2 |
| 2.58 | IUPAC digitized pKa | -1 » -2 |