Molecule ID: mol9583
SMILES: CCC(C)(C(=O)O)C(=O)O
InChI: InChI=1S/C6H10O4/c1-3-6(2,4(7)8)5(9)10/h3H2,1-2H3,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.20 | IUPAC digitized pKa | 0 » -1 |
| 2.20 | QSARToolbox | 0 » -1 |
| 2.81 | QSARToolbox | 0 » -1 |
| 2.86 | QSARToolbox | 0 » -1 |
| 2.86 | QSARToolbox | 0 » -1 |
| 2.86 | AttenGpKa training set | 0 » -1 |
| 3.00 | OCHEM | 0 » -1 |
| 6.10 | OCHEM | -1 » -2 |
| 6.41 | QSARToolbox | -1 » -2 |
| 6.41 | AttenGpKa training set | -1 » -2 |
| 6.55 | IUPAC digitized pKa | -1 » -2 |