Molecule ID: mol11537
SMILES: CCCC(CCC)(CC(=O)O)CC(=O)O
InChI: InChI=1S/C11H20O4/c1-3-5-11(6-4-2,7-9(12)13)8-10(14)15/h3-8H2,1-2H3,(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.65 | IUPAC digitized pKa | 0 » -1 |
| 3.67 | AttenGpKa training set | 0 » -1 |
| 3.69 | QSARToolbox | 0 » -1 |
| 3.69 | QSARToolbox | 0 » -1 |
| 3.69 | QSARToolbox | 0 » -1 |
| 3.99 | OCHEM | -1 » -2 |
| 7.31 | QSARToolbox | -1 » -2 |
| 7.40 | AttenGpKa training set | -1 » -2 |
| 7.48 | IUPAC digitized pKa | -1 » -2 |