Molecule ID: mol13143
SMILES: O=C(O)[C@H]1[C@@H]2C=C[C@H]1CC2
InChI: InChI=1S/C8H10O2/c9-8(10)7-5-1-2-6(7)4-3-5/h1-2,5-7H,3-4H2,(H,9,10)/t5-,6+,7+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | QSARToolbox | 0 » -1 |
| 4.58 | Datawarrior | 0 » -1 |