Molecule ID: mol7645

SMILES: Cn1nc(N)c(C#N)n1

InChI: InChI=1S/C4H5N5/c1-9-7-3(2-5)4(6)8-9/h1H3,(H2,6,8)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-1.35 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization