Molecule ID: mol22567
SMILES: CCCC(CC)(C(=O)O)C(=O)O
InChI: InChI=1S/C8H14O4/c1-3-5-8(4-2,6(9)10)7(11)12/h3-5H2,1-2H3,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.11 | QSARToolbox | 0 » -1 |
| 2.11 | QSARToolbox | 0 » -1 |
| 2.11 | QSARToolbox | 0 » -1 |
| 2.15 | AttenGpKa training set | 0 » -1 |
| 2.15 | QSARToolbox | 0 » -1 |
| 2.15 | QSARToolbox | 0 » -1 |
| 2.43 | OCHEM | 0 » -1 |
| 3.14 | OCHEM | 0 » -1 |
| 3.14 | OCHEM | 0 » -1 |
| 7.43 | QSARToolbox | -1 » -2 |
| 7.43 | QSARToolbox | -1 » -2 |
| 7.43 | AttenGpKa training set | -1 » -2 |