Molecule ID: mol10925
SMILES: CCOC(=O)C(CC)(CC)C(=O)O
InChI: InChI=1S/C9H16O4/c1-4-9(5-2,7(10)11)8(12)13-6-3/h4-6H2,1-3H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.44 | IUPAC digitized pKa | 0 » -1 |
| 3.54 | QSARToolbox | 0 » -1 |
| 3.54 | QSARToolbox | 0 » -1 |
| 3.54 | IUPAC digitized pKa | 0 » -1 |
| 3.54 | OCHEM | 0 » -1 |
| 3.64 | IUPAC digitized pKa | 0 » -1 |
| 3.70 | IUPAC digitized pKa | 0 » -1 |
| 3.70 | AttenGpKa training set | 0 » -1 |
| 4.13 | IUPAC digitized pKa | 0 » -1 |