Molecule ID: mol36139

SMILES: O=C(O)CN(CC(=O)O)[C@H]1CCC[C@@H]1N(CC(=O)O)CC(=O)O

InChI: InChI=1S/C13H20N2O8/c16-10(17)4-14(5-11(18)19)8-2-1-3-9(8)15(6-12(20)21)7-13(22)23/h8-9H,1-7H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)/t8-,9-/m0/s1

Experimental Macro pKa Values

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