Molecule ID: mol13097
SMILES: CCCCC(CC)C(=O)O
InChI: InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.70 | QSARToolbox | 0 » -1 |
| 4.76 | Datawarrior | 0 » -1 |
| 4.76 | OCHEM | 0 » -1 |
| 4.76 | QSARToolbox | 0 » -1 |