Molecule ID: mol36164

SMILES: O=C(O)CN(C/C=C/CN(CC(=O)O)CC(=O)O)CC(=O)O

InChI: InChI=1S/C12H18N2O8/c15-9(16)5-13(6-10(17)18)3-1-2-4-14(7-11(19)20)8-12(21)22/h1-2H,3-8H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/b2-1+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.96 QSARToolbox 2 » 1
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Charge States and Microspecies Visualization