Molecule ID: mol13483
SMILES: CC(C)(C)C(=O)C(=O)O
InChI: InChI=1S/C6H10O3/c1-6(2,3)4(7)5(8)9/h1-3H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.52 | AttenGpKa training set | 0 » -1 |
| 2.30 | QSARToolbox | 0 » -1 |
| 2.30 | Datawarrior | 0 » -1 |
| 2.30 | OCHEM | 0 » -1 |