Molecule ID: mol13099
SMILES: C=C=C(C)C(C)(C)C(=O)O
InChI: InChI=1S/C8H12O2/c1-5-6(2)8(3,4)7(9)10/h1H2,2-4H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.55 | Datawarrior | 0 » -1 |
| 4.55 | QSARToolbox | 0 » -1 |
| 4.55 | QSARToolbox | 0 » -1 |
| 4.55 | OCHEM | 0 » -1 |