Molecule ID: mol36144

SMILES: O=C(O)CN(CCCN(CC(=O)O)CC(Cc1ccc([N+](=O)[O-])cc1)N(CC(=O)O)CC(=O)O)CC(=O)O

InChI: InChI=1S/C22H30N4O12/c27-18(28)10-23(6-1-7-24(11-19(29)30)12-20(31)32)9-17(25(13-21(33)34)14-22(35)36)8-15-2-4-16(5-3-15)26(37)38/h2-5,17H,1,6-14H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.86 QSARToolbox -4 » -5
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Charge States and Microspecies Visualization