Molecule ID: mol10471
SMILES: CC(C)C(CC(=O)O)CC(=O)O
InChI: InChI=1S/C8H14O4/c1-5(2)6(3-7(9)10)4-8(11)12/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.28 | IUPAC digitized pKa | 0 » -1 |
| 4.28 | AttenGpKa training set | 0 » -1 |
| 4.30 | OCHEM | 0 » -1 |
| 4.30 | OCHEM | 0 » -1 |
| 4.30 | QSARToolbox | 0 » -1 |
| 4.30 | QSARToolbox | 0 » -1 |
| 4.30 | QSARToolbox | 0 » -1 |
| 4.33 | QSARToolbox | 0 » -1 |
| 4.62 | OCHEM | -1 » -2 |
| 4.62 | OCHEM | -1 » -2 |
| 5.51 | IUPAC digitized pKa | -1 » -2 |
| 5.51 | AttenGpKa training set | -1 » -2 |
| 5.51 | QSARToolbox | -1 » -2 |