Molecule ID: mol10931
SMILES: CCCC(CCC)(C(=O)O)C(=O)O
InChI: InChI=1S/C9H16O4/c1-3-5-9(6-4-2,7(10)11)8(12)13/h3-6H2,1-2H3,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.82 | IUPAC digitized pKa | 0 » -1 |
| 1.86 | IUPAC digitized pKa | 0 » -1 |
| 2.04 | QSARToolbox | 0 » -1 |
| 2.04 | OCHEM | 0 » -1 |
| 2.04 | OCHEM | 0 » -1 |
| 2.05 | QSARToolbox | 0 » -1 |
| 2.07 | QSARToolbox | 0 » -1 |
| 2.07 | QSARToolbox | 0 » -1 |
| 2.07 | QSARToolbox | 0 » -1 |
| 2.07 | AttenGpKa training set | 0 » -1 |
| 2.15 | IUPAC digitized pKa | 0 » -1 |
| 2.36 | OCHEM | 0 » -1 |
| 2.40 | QSARToolbox | 0 » -1 |
| 2.70 | QSARToolbox | 0 » -1 |
| 7.15 | IUPAC digitized pKa | -1 » -2 |
| 7.18 | IUPAC digitized pKa | -1 » -2 |
| 7.34 | IUPAC digitized pKa | -1 » -2 |
| 7.51 | AttenGpKa training set | -1 » -2 |
| 7.51 | QSARToolbox | -1 » -2 |
| 7.51 | QSARToolbox | -1 » -2 |