Molecule ID: mol4776

SMILES: Cn1cnc(=N)c2nccnc21

InChI: InChI=1S/C7H7N5/c1-12-4-11-6(8)5-7(12)10-3-2-9-5/h2-4,8H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization