Molecule ID: mol18455

SMILES: Nc1ccnc(N2CCc3ccccc3C2)c1

InChI: InChI=1S/C14H15N3/c15-13-5-7-16-14(9-13)17-8-6-11-3-1-2-4-12(11)10-17/h1-5,7,9H,6,8,10H2,(H2,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization