Molecule ID: mol14278
SMILES: CCCC(C(CC)CO)C(CC)C(=O)O
InChI: InChI=1S/C12H24O3/c1-4-7-11(9(5-2)8-13)10(6-3)12(14)15/h9-11,13H,4-8H2,1-3H3,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.78 | Datawarrior | 0 » -1 |
| 4.78 | OCHEM | 0 » -1 |
| 4.78 | QSARToolbox | 0 » -1 |