Molecule ID: mol8129

SMILES: Nc1nc(N)c2ncc(=O)[nH]c2n1

InChI: InChI=1S/C6H6N6O/c7-4-3-5(12-6(8)11-4)10-2(13)1-9-3/h1H,(H5,7,8,10,11,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization