Molecule ID: mol11538
SMILES: CCCCC(CCCC)(C(=O)O)C(=O)O
InChI: InChI=1S/C11H20O4/c1-3-5-7-11(9(12)13,10(14)15)8-6-4-2/h3-8H2,1-2H3,(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.89 | IUPAC digitized pKa | 0 » -1 |
| 2.01 | QSARToolbox | 0 » -1 |
| 2.01 | QSARToolbox | 0 » -1 |
| 2.01 | IUPAC digitized pKa | 0 » -1 |
| 2.16 | IUPAC digitized pKa | 0 » -1 |
| 2.16 | AttenGpKa training set | 0 » -1 |
| 2.64 | IUPAC digitized pKa | 0 » -1 |
| 7.19 | IUPAC digitized pKa | -1 » -2 |
| 7.21 | IUPAC digitized pKa | -1 » -2 |
| 7.36 | IUPAC digitized pKa | -1 » -2 |
| 7.70 | IUPAC digitized pKa | -1 » -2 |
| 7.70 | AttenGpKa training set | -1 » -2 |
| 8.23 | IUPAC digitized pKa | -1 » -2 |