Molecule ID: mol13144
SMILES: O=C(O)C1C2CCC1CC2
InChI: InChI=1S/C8H12O2/c9-8(10)7-5-1-2-6(7)4-3-5/h5-7H,1-4H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.85 | OCHEM | 0 » -1 |
| 4.85 | QSARToolbox | 0 » -1 |
| 4.85 | QSARToolbox | 0 » -1 |
| 4.85 | Datawarrior | 0 » -1 |