Molecule ID: mol845

SMILES: CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1

InChI: InChI=1S/C17H25N3O3/c1-3-19(4-2)17(21)15-6-5-11-18(13-15)12-14-7-9-16(10-8-14)20(22)23/h7-10,15H,3-6,11-13H2,1-2H3/t15-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
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Charge States and Microspecies Visualization