Molecule ID: mol1860
SMILES: CC(=O)CCC(=O)O
InChI: InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.59 | OCHEM | 0 » -1 |
| 4.59 | OCHEM | 0 » -1 |
| 4.60 | QSARToolbox | 0 » -1 |
| 4.60 | IUPAC digitized pKa | 0 » -1 |
| 4.60 | OCHEM | 0 » -1 |
| 4.61 | AttenGpKa training set | 0 » -1 |
| 4.63 | Datawarrior | 0 » -1 |
| 4.63 | OCHEM | 0 » -1 |
| 4.63 | QSARToolbox | 0 » -1 |
| 4.63 | QSARToolbox | 0 » -1 |
| 4.63 | QSARToolbox | 0 » -1 |
| 4.64 | QSARToolbox | 0 » -1 |
| 4.64 | QSARToolbox | 0 » -1 |
| 4.64 | QSARToolbox | 0 » -1 |
| 4.64 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.64 | OCHEM | 0 » -1 |
| 4.64 | OCHEM | 0 » -1 |
| 4.64 | Hunt | 0 » -1 |
| 4.64 | OCHEM | 0 » -1 |
| 4.64 | OCHEM | 0 » -1 |
| 4.64 | OCHEM | 0 » -1 |