Molecule ID: mol10451
SMILES: CC(C)(C)CC#CC(=O)O
InChI: InChI=1S/C8H12O2/c1-8(2,3)6-4-5-7(9)10/h6H2,1-3H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.53 | IUPAC digitized pKa | 0 » -1 |
| 2.53 | AttenGpKa training set | 0 » -1 |
| 2.54 | QSARToolbox | 0 » -1 |
| 2.54 | QSARToolbox | 0 » -1 |
| 2.54 | Datawarrior | 0 » -1 |
| 2.54 | OCHEM | 0 » -1 |