Molecule ID: mol4881

SMILES: NN=Cc1ncnc2nc[nH]c12

InChI: InChI=1S/C6H6N6/c7-12-1-4-5-6(10-2-8-4)11-3-9-5/h1-3H,7H2,(H,8,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization