Molecule ID: mol10472
SMILES: CCCC(CC(=O)O)CC(=O)O
InChI: InChI=1S/C8H14O4/c1-2-3-6(4-7(9)10)5-8(11)12/h6H,2-5H2,1H3,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.31 | QSARToolbox | 0 » -1 |
| 4.31 | QSARToolbox | 0 » -1 |
| 4.31 | QSARToolbox | 0 » -1 |
| 4.31 | QSARToolbox | 0 » -1 |
| 4.31 | QSARToolbox | 0 » -1 |
| 4.31 | QSARToolbox | 0 » -1 |
| 4.32 | AttenGpKa training set | 0 » -1 |
| 4.32 | IUPAC digitized pKa | 0 » -1 |
| 4.61 | OCHEM | -1 » -2 |
| 4.61 | OCHEM | -1 » -2 |
| 5.39 | QSARToolbox | -1 » -2 |
| 5.46 | IUPAC digitized pKa | -1 » -2 |
| 5.93 | AttenGpKa training set | -1 » -2 |