Molecule ID: mol10006
SMILES: O=C(O)C1(O)CCCCC1
InChI: InChI=1S/C7H12O3/c8-6(9)7(10)4-2-1-3-5-7/h10H,1-5H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.91 | IUPAC digitized pKa | 0 » -1 |
| 3.93 | IUPAC digitized pKa | 0 » -1 |
| 3.94 | IUPAC digitized pKa | 0 » -1 |
| 3.98 | IUPAC digitized pKa | 0 » -1 |
| 4.01 | IUPAC digitized pKa | 0 » -1 |
| 4.05 | IUPAC digitized pKa | 0 » -1 |
| 4.06 | IUPAC digitized pKa | 0 » -1 |
| 4.08 | IUPAC digitized pKa | 0 » -1 |
| 4.11 | QSARToolbox | 0 » -1 |
| 4.11 | QSARToolbox | 0 » -1 |
| 4.16 | IUPAC digitized pKa | 0 » -1 |
| 4.18 | OCHEM | 0 » -1 |
| 4.18 | Datawarrior | 0 » -1 |
| 4.21 | AttenGpKa training set | 0 » -1 |
| 4.27 | QSARToolbox | 0 » -1 |