Molecule ID: mol2259
SMILES: CCC(=O)O
InChI: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.35 | IUPAC digitized pKa | 0 » -1 |
| 4.50 | IUPAC digitized pKa | 0 » -1 |
| 4.66 | IUPAC digitized pKa | 0 » -1 |
| 4.69 | IUPAC digitized pKa | 0 » -1 |
| 4.69 | IUPAC digitized pKa | 0 » -1 |
| 4.70 | IUPAC digitized pKa | 0 » -1 |
| 4.83 | OCHEM | 0 » -1 |
| 4.83 | Datawarrior | 0 » -1 |
| 4.86 | IUPAC digitized pKa | 0 » -1 |
| 4.87 | QSARToolbox | 0 » -1 |
| 4.87 | IUPAC digitized pKa | 0 » -1 |
| 4.87 | OCHEM | 0 » -1 |
| 4.87 | OCHEM | 0 » -1 |
| 4.87 | OCHEM | 0 » -1 |
| 4.87 | Baltruschat ChEMBL | 0 » -1 |
| 4.87 | IUPAC digitized pKa | 0 » -1 |
| 4.87 | OCHEM | 0 » -1 |
| 4.87 | OCHEM | 0 » -1 |
| 4.87 | OCHEM | 0 » -1 |
| 4.87 | Hunt | 0 » -1 |
| 4.87 | OCHEM | 0 » -1 |
| 4.88 | IUPAC digitized pKa | 0 » -1 |
| 4.88 | OCHEM | 0 » -1 |
| 4.88 | OCHEM | 0 » -1 |
| 4.88 | OCHEM | 0 » -1 |
| 4.88 | IUPAC digitized pKa | 0 » -1 |
| 4.88 | IUPAC digitized pKa | 0 » -1 |
| 4.88 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.88 | OCHEM | 0 » -1 |
| 4.88 | AttenGpKa training set | 0 » -1 |
| 4.88 | QSARToolbox | 0 » -1 |
| 4.89 | IUPAC digitized pKa | 0 » -1 |
| 4.89 | IUPAC digitized pKa | 0 » -1 |
| 4.90 | IUPAC digitized pKa | 0 » -1 |
| 4.90 | IUPAC digitized pKa | 0 » -1 |
| 4.90 | IUPAC digitized pKa | 0 » -1 |
| 4.91 | IUPAC digitized pKa | 0 » -1 |
| 5.07 | IUPAC digitized pKa | 0 » -1 |
| 5.30 | IUPAC digitized pKa | 0 » -1 |
| 5.49 | QSARToolbox | 0 » -1 |
| 5.64 | IUPAC digitized pKa | 0 » -1 |
| 5.92 | IUPAC digitized pKa | 0 » -1 |