Molecule ID: mol16777

SMILES: c1c[nH]c(CCCCCCCCCCCCc2ncc[nH]2)n1

InChI: InChI=1S/C18H30N4/c1(3-5-7-9-11-17-19-13-14-20-17)2-4-6-8-10-12-18-21-15-16-22-18/h13-16H,1-12H2,(H,19,20)(H,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization