Molecule ID: mol750
SMILES: O=C(O)CCCCC(=O)O
InChI: InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.28 | IUPAC digitized pKa | -1 » -2 |
| 4.28 | QSARToolbox | 0 » -1 |
| 4.41 | QSARToolbox | 0 » -1 |
| 4.41 | QSARToolbox | 0 » -1 |
| 4.41 | QSARToolbox | 0 » -1 |
| 4.42 | OCHEM | 0 » -1 |
| 4.42 | OCHEM | 0 » -1 |
| 4.42 | AttenGpKa training set | 0 » -1 |
| 4.42 | IUPAC digitized pKa | -1 » -2 |
| 4.42 | IUPAC digitized pKa | -1 » -2 |
| 4.42 | IUPAC digitized pKa | -1 » -2 |
| 4.42 | QSARToolbox | 0 » -1 |
| 4.42 | QSARToolbox | 0 » -1 |
| 4.42 | QSARToolbox | 0 » -1 |
| 4.42 | QSARToolbox | 0 » -1 |
| 4.42 | QSARToolbox | 0 » -1 |
| 4.42 | QSARToolbox | 0 » -1 |
| 4.43 | QSARToolbox | 0 » -1 |
| 4.43 | QSARToolbox | 0 » -1 |
| 4.43 | QSARToolbox | 0 » -1 |
| 4.43 | QSARToolbox | 0 » -1 |
| 4.43 | QSARToolbox | 0 » -1 |
| 4.43 | QSARToolbox | 0 » -1 |
| 4.43 | OCHEM | 0 » -1 |
| 4.43 | Hunt | 0 » -1 |
| 4.44 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.44 | IUPAC digitized pKa | -1 » -2 |
| 4.44 | IUPAC digitized pKa | -1 » -2 |
| 4.44 | QSARToolbox | 0 » -1 |
| 4.48 | QSARToolbox | 0 » -1 |
| 4.48 | QSARToolbox | 0 » -1 |
| 4.54 | QSARToolbox | 0 » -1 |
| 4.54 | QSARToolbox | 0 » -1 |
| 4.58 | OCHEM | 0 » -1 |
| 4.70 | OCHEM | 0 » -1 |
| 5.00 | IUPAC digitized pKa | 0 » -1 |
| 5.00 | QSARToolbox | 0 » -1 |
| 5.40 | AttenGpKa training set | 0 » -1 |
| 5.41 | QSARToolbox | 0 » -1 |
| 5.41 | QSARToolbox | 0 » -1 |
| 5.41 | QSARToolbox | 0 » -1 |
| 5.41 | QSARToolbox | 0 » -1 |
| 5.41 | QSARToolbox | 0 » -1 |
| 5.41 | QSARToolbox | 0 » -1 |
| 5.41 | QSARToolbox | 0 » -1 |
| 5.41 | IUPAC digitized pKa | 0 » -1 |
| 5.41 | IUPAC digitized pKa | 0 » -1 |
| 5.41 | OCHEM | 0 » -1 |
| 5.41 | Hunt | 0 » -1 |
| 5.42 | QSARToolbox | 0 » -1 |
| 5.42 | QSARToolbox | 0 » -1 |
| 5.43 | IUPAC digitized pKa | 0 » -1 |
| 5.44 | IUPAC digitized pKa | 0 » -1 |
| 5.44 | QSARToolbox | 0 » -1 |
| 5.45 | IUPAC digitized pKa | 0 » -1 |
| 5.49 | QSARToolbox | 0 » -1 |
| 5.49 | QSARToolbox | 0 » -1 |
| 5.59 | QSARToolbox | 0 » -1 |
| 5.59 | QSARToolbox | 0 » -1 |