Molecule ID: mol18441

SMILES: OCCNc1ccnc(N2CCc3ccccc3C2)c1

InChI: InChI=1S/C16H19N3O/c20-10-8-17-15-5-7-18-16(11-15)19-9-6-13-3-1-2-4-14(13)12-19/h1-5,7,11,20H,6,8-10,12H2,(H,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization