Molecule ID: mol36151

SMILES: O=C(O)CN(CCN(CC(=O)O)Cc1cccc(C(=O)O)n1)Cc1cccc(C(=O)O)n1

InChI: InChI=1S/C20H22N4O8/c25-17(26)11-23(9-13-3-1-5-15(21-13)19(29)30)7-8-24(12-18(27)28)10-14-4-2-6-16(22-14)20(31)32/h1-6H,7-12H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.50 QSARToolbox -3 » -4
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Charge States and Microspecies Visualization