Molecule ID: mol10470
SMILES: O=C(O)CCCCCCC(=O)O
InChI: InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.51 | QSARToolbox | 0 » -1 |
| 4.52 | QSARToolbox | 0 » -1 |
| 4.52 | QSARToolbox | 0 » -1 |
| 4.52 | QSARToolbox | 0 » -1 |
| 4.52 | QSARToolbox | 0 » -1 |
| 4.52 | QSARToolbox | 0 » -1 |
| 4.52 | QSARToolbox | 0 » -1 |
| 4.52 | QSARToolbox | 0 » -1 |
| 4.52 | QSARToolbox | 0 » -1 |
| 4.52 | QSARToolbox | 0 » -1 |
| 4.52 | QSARToolbox | 0 » -1 |
| 4.52 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.52 | AttenGpKa training set | 0 » -1 |
| 4.52 | IUPAC digitized pKa | -1 » -2 |
| 4.53 | IUPAC digitized pKa | -1 » -2 |
| 4.82 | OCHEM | 0 » -1 |
| 5.20 | OCHEM | 0 » -1 |
| 5.33 | QSARToolbox | 0 » -1 |
| 5.33 | QSARToolbox | 0 » -1 |
| 5.33 | QSARToolbox | 0 » -1 |
| 5.39 | AttenGpKa training set | 0 » -1 |
| 5.40 | QSARToolbox | 0 » -1 |
| 5.40 | QSARToolbox | 0 » -1 |
| 5.41 | QSARToolbox | 0 » -1 |
| 5.41 | QSARToolbox | 0 » -1 |
| 5.50 | IUPAC digitized pKa | 0 » -1 |
| 5.52 | IUPAC digitized pKa | 0 » -1 |