Molecule ID: mol11266
SMILES: CCOC(=O)C(CC)(C(=O)O)C(C)C
InChI: InChI=1S/C10H18O4/c1-5-10(7(3)4,8(11)12)9(13)14-6-2/h7H,5-6H2,1-4H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.72 | IUPAC digitized pKa | 0 » -1 |
| 3.80 | IUPAC digitized pKa | 0 » -1 |
| 3.87 | QSARToolbox | 0 » -1 |
| 3.87 | QSARToolbox | 0 » -1 |
| 3.87 | OCHEM | 0 » -1 |
| 3.87 | AttenGpKa training set | 0 » -1 |
| 4.34 | IUPAC digitized pKa | 0 » -1 |