Molecule ID: mol2568
SMILES: CC(=O)CCCC(=O)O
InChI: InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.66 | OCHEM | 0 » -1 |
| 4.66 | QSARToolbox | 0 » -1 |
| 4.66 | QSARToolbox | 0 » -1 |
| 4.66 | Datawarrior | 0 » -1 |
| 4.66 | OCHEM | 0 » -1 |
| 4.66 | Hunt | 0 » -1 |
| 4.66 | AttenGpKa training set | 0 » -1 |
| 4.80 | IUPAC digitized pKa | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |