Molecule ID: mol36167

SMILES: O=C(O)CN1CCN(CC(=O)O)CC(=O)Nc2ccccc2NC(=O)C1

InChI: InChI=1S/C16H20N4O6/c21-13-7-19(9-15(23)24)5-6-20(10-16(25)26)8-14(22)18-12-4-2-1-3-11(12)17-13/h1-4H,5-10H2,(H,17,21)(H,18,22)(H,23,24)(H,25,26)

Experimental Macro pKa Values

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