Molecule ID: mol2726
SMILES: O=C1CCCC(=O)C1
InChI: InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.07 | Caine | 0 » -1 |
| 5.25 | IUPAC digitized pKa | 0 » -1 |
| 5.26 | Datawarrior | 0 » -1 |
| 5.26 | OCHEM | 0 » -1 |
| 5.26 | OCHEM | 0 » -1 |
| 5.26 | OCHEM | 0 » -1 |
| 5.26 | QSARToolbox | 0 » -1 |
| 5.27 | AttenGpKa training set | 0 » -1 |