Molecule ID: mol18458

SMILES: c1ccc(CNc2ccnc(N3CCc4ccccc4C3)c2)cc1

InChI: InChI=1S/C21H21N3/c1-2-6-17(7-3-1)15-23-20-10-12-22-21(14-20)24-13-11-18-8-4-5-9-19(18)16-24/h1-10,12,14H,11,13,15-16H2,(H,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization