Molecule ID: mol9581
SMILES: CC(CCC(=O)O)C(=O)O
InChI: InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.11 | QSARToolbox | 0 » -1 |
| 4.11 | QSARToolbox | 0 » -1 |
| 4.25 | QSARToolbox | 0 » -1 |
| 4.36 | IUPAC digitized pKa | 0 » -1 |
| 4.60 | AttenGpKa training set | 0 » -1 |
| 5.37 | IUPAC digitized pKa | -1 » -2 |
| 5.37 | AttenGpKa training set | -1 » -2 |