Molecule ID: mol34777
SMILES: CC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O
InChI: InChI=1S/C14H24O9/c1-14(8-21-5-2-11(15)16,9-22-6-3-12(17)18)10-23-7-4-13(19)20/h2-10H2,1H3,(H,15,16)(H,17,18)(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.46 | QSARToolbox | 0 » -1 |