Molecule ID: mol4127

SMILES: Nc1cc(N)ncn1

InChI: InChI=1S/C4H6N4/c5-3-1-4(6)8-2-7-3/h1-2H,(H4,5,6,7,8)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.99 QSARToolbox 1 » 0
5.99 IUPAC digitized pKa 1 » 0
6.01 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization