Molecule ID: mol36119
SMILES: O=C(O)CCOCC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O
InChI: InChI=1S/C17H28O12/c18-13(19)1-5-26-9-17(10-27-6-2-14(20)21,11-28-7-3-15(22)23)12-29-8-4-16(24)25/h1-12H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.41 | QSARToolbox | 0 » -1 |