Molecule ID: mol9319
SMILES: CC(C)=CC(=O)O
InChI: InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.12 | QSARToolbox | 0 » -1 |
| 5.12 | QSARToolbox | 0 » -1 |
| 5.12 | QSARToolbox | 0 » -1 |
| 5.12 | QSARToolbox | 0 » -1 |
| 5.12 | QSARToolbox | 0 » -1 |
| 5.12 | OCHEM | 0 » -1 |
| 5.12 | IUPAC digitized pKa | 0 » -1 |
| 5.12 | Datawarrior | 0 » -1 |
| 5.12 | OCHEM | 0 » -1 |
| 5.12 | OCHEM | 0 » -1 |
| 5.13 | OCHEM | 0 » -1 |
| 5.13 | AttenGpKa training set | 0 » -1 |
| 5.14 | QSARToolbox | 0 » -1 |