Molecule ID: mol9980
SMILES: O=C(O)C12CCC(C1)C2
InChI: InChI=1S/C7H10O2/c8-6(9)7-2-1-5(3-7)4-7/h5H,1-4H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.96 | Datawarrior | 0 » -1 |
| 3.96 | OCHEM | 0 » -1 |
| 4.46 | IUPAC digitized pKa | 0 » -1 |
| 4.46 | AttenGpKa training set | 0 » -1 |
| 4.46 | QSARToolbox | 0 » -1 |
| 4.46 | QSARToolbox | 0 » -1 |