Molecule ID: mol22568
SMILES: CCC(C(=O)O)C(CC)C(=O)O
InChI: InChI=1S/C8H14O4/c1-3-5(7(9)10)6(4-2)8(11)12/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.46 | QSARToolbox | 0 » -1 |
| 3.46 | QSARToolbox | 0 » -1 |
| 3.51 | QSARToolbox | 0 » -1 |
| 3.51 | QSARToolbox | 0 » -1 |
| 3.51 | AttenGpKa training set | 0 » -1 |
| 3.63 | QSARToolbox | 0 » -1 |
| 3.63 | QSARToolbox | 0 » -1 |
| 3.63 | QSARToolbox | 0 » -1 |
| 3.79 | OCHEM | 0 » -1 |
| 3.79 | OCHEM | 0 » -1 |
| 3.93 | OCHEM | 0 » -1 |
| 6.10 | OCHEM | -1 » -2 |
| 6.46 | QSARToolbox | -1 » -2 |
| 6.60 | QSARToolbox | -1 » -2 |
| 6.60 | AttenGpKa training set | -1 » -2 |