Molecule ID: mol16662

SMILES: CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccco3)n2)CC1

InChI: InChI=1S/C18H21N7O2/c1-23-7-9-24(10-8-23)13-17(26)20-15-12-16(25-6-3-5-19-25)22-18(21-15)14-4-2-11-27-14/h2-6,11-12H,7-10,13H2,1H3,(H,20,21,22,26)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.90 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization