Molecule ID: mol9585
SMILES: CCCC(C(=O)O)C(=O)O
InChI: InChI=1S/C6H10O4/c1-2-3-4(5(7)8)6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.97 | OCHEM | 0 » -1 |
| 2.97 | OCHEM | 0 » -1 |
| 2.99 | AttenGpKa training set | 0 » -1 |
| 2.99 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 2.99 | OCHEM | 0 » -1 |
| 2.99 | OCHEM | 0 » -1 |
| 2.99 | OCHEM | 0 » -1 |
| 2.99 | OCHEM | 0 » -1 |
| 2.99 | QSARToolbox | 0 » -1 |
| 2.99 | QSARToolbox | 0 » -1 |
| 3.00 | IUPAC digitized pKa | 0 » -1 |
| 3.00 | QSARToolbox | 0 » -1 |
| 3.00 | QSARToolbox | 0 » -1 |
| 3.30 | OCHEM | 0 » -1 |
| 5.54 | OCHEM | -1 » -2 |
| 5.76 | AttenGpKa training set | -1 » -2 |
| 5.84 | IUPAC digitized pKa | -1 » -2 |
| 5.84 | QSARToolbox | -1 » -2 |