Molecule ID: mol9584
SMILES: CC(C)C(C(=O)O)C(=O)O
InChI: InChI=1S/C6H10O4/c1-3(2)4(5(7)8)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.92 | IUPAC digitized pKa | 0 » -1 |
| 2.94 | AttenGpKa training set | 0 » -1 |
| 2.94 | IUPAC digitized pKa | 0 » -1 |
| 2.94 | OCHEM | 0 » -1 |
| 2.94 | OCHEM | 0 » -1 |
| 2.94 | QSARToolbox | 0 » -1 |
| 2.94 | QSARToolbox | 0 » -1 |
| 3.30 | OCHEM | -1 » -2 |
| 3.43 | IUPAC digitized pKa | 0 » -1 |
| 5.58 | OCHEM | -1 » -2 |
| 5.84 | AttenGpKa training set | -1 » -2 |
| 5.88 | IUPAC digitized pKa | -1 » -2 |
| 5.88 | IUPAC digitized pKa | -1 » -2 |
| 5.88 | QSARToolbox | -1 » -2 |
| 6.36 | IUPAC digitized pKa | -1 » -2 |