Molecule ID: mol7009

SMILES: NC(=O)c1cncnc1N

InChI: InChI=1S/C5H6N4O/c6-4-3(5(7)10)1-8-2-9-4/h1-2H,(H2,7,10)(H2,6,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization