Molecule ID: mol18451

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

InChI: InChI=1S/C17H19N3O2/c1-2-22-17(21)19-15-7-9-18-16(11-15)20-10-8-13-5-3-4-6-14(13)12-20/h3-7,9,11H,2,8,10,12H2,1H3,(H,18,19,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization