Molecule ID: mol8156

SMILES: Cn1cncc2ncc(=N)nc1-2

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization