Molecule ID: mol26214

SMILES: Oc1ncc2c(n1)NC(O)C=N2

InChI: InChI=1S/C6H6N4O2/c11-4-2-7-3-1-8-6(12)10-5(3)9-4/h1-2,4,11H,(H2,8,9,10,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.05 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization