Molecule ID: mol18450

SMILES: CC(=O)Nc1ccnc(N2CCc3ccccc3C2)c1

InChI: InChI=1S/C16H17N3O/c1-12(20)18-15-6-8-17-16(10-15)19-9-7-13-4-2-3-5-14(13)11-19/h2-6,8,10H,7,9,11H2,1H3,(H,17,18,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization