Molecule ID: mol12443
SMILES: CCC(C)=CC(=O)O
InChI: InChI=1S/C6H10O2/c1-3-5(2)4-6(7)8/h4H,3H2,1-2H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.13 | OCHEM | 0 » -1 |
| 5.13 | QSARToolbox | 0 » -1 |
| 5.13 | QSARToolbox | 0 » -1 |
| 5.14 | Datawarrior | 0 » -1 |
| 5.15 | OCHEM | 0 » -1 |
| 5.15 | Datawarrior | 0 » -1 |
| 5.15 | OCHEM | 0 » -1 |
| 5.15 | QSARToolbox | 0 » -1 |
| 5.15 | QSARToolbox | 0 » -1 |