Molecule ID: mol10465
SMILES: O=C(O)C1(O)CCCCCC1
InChI: InChI=1S/C8H14O3/c9-7(10)8(11)5-3-1-2-4-6-8/h11H,1-6H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.96 | IUPAC digitized pKa | 0 » -1 |
| 3.98 | IUPAC digitized pKa | 0 » -1 |
| 3.99 | IUPAC digitized pKa | 0 » -1 |
| 4.02 | IUPAC digitized pKa | 0 » -1 |
| 4.04 | QSARToolbox | 0 » -1 |
| 4.04 | QSARToolbox | 0 » -1 |
| 4.04 | Datawarrior | 0 » -1 |
| 4.04 | OCHEM | 0 » -1 |
| 4.06 | IUPAC digitized pKa | 0 » -1 |
| 4.10 | IUPAC digitized pKa | 0 » -1 |
| 4.11 | IUPAC digitized pKa | 0 » -1 |
| 4.13 | AttenGpKa training set | 0 » -1 |
| 4.13 | IUPAC digitized pKa | 0 » -1 |
| 4.20 | OCHEM | 0 » -1 |
| 4.21 | IUPAC digitized pKa | 0 » -1 |