Molecule ID: mol10016
SMILES: CCC(CC)(C(=O)O)C(=O)O
InChI: InChI=1S/C7H12O4/c1-3-7(4-2,5(8)9)6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.96 | IUPAC digitized pKa | 0 » -1 |
| 2.04 | QSARToolbox | 0 » -1 |
| 2.04 | QSARToolbox | 0 » -1 |
| 2.10 | QSARToolbox | 0 » -1 |
| 2.12 | IUPAC digitized pKa | 0 » -1 |
| 2.13 | IUPAC digitized pKa | 0 » -1 |
| 2.14 | IUPAC digitized pKa | 0 » -1 |
| 2.14 | IUPAC digitized pKa | 0 » -1 |
| 2.15 | IUPAC digitized pKa | 0 » -1 |
| 2.15 | QSARToolbox | 0 » -1 |
| 2.15 | QSARToolbox | 0 » -1 |
| 2.15 | IUPAC digitized pKa | 0 » -1 |
| 2.16 | IUPAC digitized pKa | 0 » -1 |
| 2.17 | IUPAC digitized pKa | 0 » -1 |
| 2.19 | IUPAC digitized pKa | 0 » -1 |
| 2.21 | IUPAC digitized pKa | 0 » -1 |
| 2.21 | IUPAC digitized pKa | 0 » -1 |
| 2.21 | AttenGpKa training set | 0 » -1 |
| 2.21 | QSARToolbox | 0 » -1 |
| 2.21 | QSARToolbox | 0 » -1 |
| 2.21 | QSARToolbox | 0 » -1 |
| 2.21 | QSARToolbox | 0 » -1 |
| 2.48 | OCHEM | 0 » -1 |
| 2.70 | IUPAC digitized pKa | 0 » -1 |
| 6.98 | IUPAC digitized pKa | -1 » -2 |
| 6.98 | QSARToolbox | -1 » -2 |
| 7.05 | IUPAC digitized pKa | -1 » -2 |
| 7.24 | AttenGpKa training set | -1 » -2 |
| 7.29 | QSARToolbox | -1 » -2 |
| 7.29 | QSARToolbox | -1 » -2 |
| 7.33 | IUPAC digitized pKa | -1 » -2 |
| 7.40 | IUPAC digitized pKa | -1 » -2 |
| 7.40 | IUPAC digitized pKa | -1 » -2 |
| 7.40 | IUPAC digitized pKa | -1 » -2 |
| 7.41 | IUPAC digitized pKa | -1 » -2 |
| 7.42 | IUPAC digitized pKa | -1 » -2 |
| 7.43 | IUPAC digitized pKa | -1 » -2 |
| 7.44 | IUPAC digitized pKa | -1 » -2 |
| 7.46 | IUPAC digitized pKa | -1 » -2 |
| 7.47 | IUPAC digitized pKa | -1 » -2 |
| 7.70 | QSARToolbox | -1 » -2 |
| 7.74 | IUPAC digitized pKa | -1 » -2 |