Molecule ID: mol18440

SMILES: Cc1cnc(N2CCc3ccccc3C2)cc1NCCO

InChI: InChI=1S/C17H21N3O/c1-13-11-19-17(10-16(13)18-7-9-21)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)

Experimental Macro pKa Values

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