Molecule ID: mol9582
SMILES: CC(CC(=O)O)CC(=O)O
InChI: InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.24 | QSARToolbox | 0 » -1 |
| 4.24 | OCHEM | 0 » -1 |
| 4.24 | OCHEM | 0 » -1 |
| 4.25 | QSARToolbox | 0 » -1 |
| 4.25 | QSARToolbox | 0 » -1 |
| 4.25 | QSARToolbox | 0 » -1 |
| 4.27 | IUPAC digitized pKa | 0 » -1 |
| 4.29 | QSARToolbox | 0 » -1 |
| 4.30 | AttenGpKa training set | 0 » -1 |
| 4.33 | QSARToolbox | 0 » -1 |
| 4.35 | IUPAC digitized pKa | 0 » -1 |
| 4.37 | QSARToolbox | 0 » -1 |
| 4.37 | QSARToolbox | 0 » -1 |
| 4.65 | OCHEM | 0 » -1 |
| 4.65 | OCHEM | 0 » -1 |
| 5.37 | IUPAC digitized pKa | -1 » -2 |
| 5.41 | QSARToolbox | -1 » -2 |
| 5.44 | IUPAC digitized pKa | -1 » -2 |
| 5.83 | AttenGpKa training set | -1 » -2 |