Molecule ID: mol35226

SMILES: N=C(N)NCCCC(NC(=O)C(N)Cc1ccccc1)C(=O)O

InChI: InChI=1S/C15H23N5O3/c16-11(9-10-5-2-1-3-6-10)13(21)20-12(14(22)23)7-4-8-19-15(17)18/h1-3,5-6,11-12H,4,7-9,16H2,(H,20,21)(H,22,23)(H4,17,18,19)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.66 QSARToolbox 2 » 1
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Charge States and Microspecies Visualization