Molecule ID: mol4963

SMILES: CCCNc1ncnc2[nH]ncc12

InChI: InChI=1S/C8H11N5/c1-2-3-9-7-6-4-12-13-8(6)11-5-10-7/h4-5H,2-3H2,1H3,(H2,9,10,11,12,13)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.54 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization