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)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.41 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization