Molecule ID: mol1882
SMILES: CCCCC(=O)O
InChI: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.76 | IUPAC digitized pKa | 0 » -1 |
| 4.80 | IUPAC digitized pKa | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |
| 4.81 | QSARToolbox | 0 » -1 |
| 4.81 | QSARToolbox | 0 » -1 |
| 4.82 | OCHEM | 0 » -1 |
| 4.82 | Datawarrior | 0 » -1 |
| 4.82 | QSARToolbox | 0 » -1 |
| 4.82 | QSARToolbox | 0 » -1 |
| 4.82 | OCHEM | 0 » -1 |
| 4.83 | QSARToolbox | 0 » -1 |
| 4.83 | QSARToolbox | 0 » -1 |
| 4.84 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.84 | OCHEM | 0 » -1 |
| 4.84 | OCHEM | 0 » -1 |
| 4.84 | OCHEM | 0 » -1 |
| 4.84 | QSARToolbox | 0 » -1 |
| 4.85 | OCHEM | 0 » -1 |
| 4.85 | Hunt | 0 » -1 |
| 4.86 | AttenGpKa training set | 0 » -1 |
| 4.86 | QSARToolbox | 0 » -1 |
| 4.86 | QSARToolbox | 0 » -1 |
| 4.86 | QSARToolbox | 0 » -1 |
| 4.86 | QSARToolbox | 0 » -1 |
| 4.86 | IUPAC digitized pKa | 0 » -1 |
| 4.94 | QSARToolbox | 0 » -1 |
| 4.94 | QSARToolbox | 0 » -1 |
| 6.40 | QSARToolbox | 0 » -1 |
| 6.40 | QSARToolbox | 0 » -1 |