Molecule ID: mol18022

SMILES: Cc1nc2c(CCc3ccccc3)nccn2c1N

InChI: InChI=1S/C15H16N4/c1-11-14(16)19-10-9-17-13(15(19)18-11)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8,16H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization