Molecule ID: mol18453

SMILES: Cc1cc(N)nc(N2CCc3ccccc3C2)c1

InChI: InChI=1S/C15H17N3/c1-11-8-14(16)17-15(9-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)

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