Molecule ID: mol20924

SMILES: N#CCC(=O)N1CCC[C@@H](n2nnc3cnc4[nH]ccc4c32)C1

InChI: InChI=1S/C15H15N7O/c16-5-3-13(23)21-7-1-2-10(9-21)22-14-11-4-6-17-15(11)18-8-12(14)19-20-22/h4,6,8,10H,1-3,7,9H2,(H,17,18)/t10-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.96 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization