Molecule ID: mol1352

SMILES: CCNc1ncccn1

InChI: InChI=1S/C6H9N3/c1-2-7-6-8-4-3-5-9-6/h3-5H,2H2,1H3,(H,7,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.89 IUPAC digitized pKa 1 » 0
3.89 Hunt 1 » 0
4.03 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization