Molecule ID: mol9332
SMILES: CCC(C)(O)C(=O)O
InChI: InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.73 | IUPAC digitized pKa | 0 » -1 |
| 3.73 | QSARToolbox | 0 » -1 |
| 3.73 | QSARToolbox | 0 » -1 |
| 3.86 | OCHEM | 0 » -1 |
| 3.91 | AttenGpKa training set | 0 » -1 |
| 3.99 | QSARToolbox | 0 » -1 |