Molecule ID: mol4709

SMILES: Nc1cnc2cncnc2n1

InChI: InChI=1S/C6H5N5/c7-5-2-9-4-1-8-3-10-6(4)11-5/h1-3H,(H2,7,8,10,11)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.20 IUPAC digitized pKa 1 » 0
2.21 IUPAC digitized pKa 1 » 0
2.96 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization