Molecule ID: mol21435

SMILES: CCCCCCCCN(Cc1nnn[nH]1)c1ccccc1

InChI: InChI=1S/C16H25N5/c1-2-3-4-5-6-10-13-21(14-16-17-19-20-18-16)15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,17,18,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization