Molecule ID: mol4130

SMILES: Nc1cnc(Cl)nc1N

InChI: InChI=1S/C4H5ClN4/c5-4-8-1-2(6)3(7)9-4/h1H,6H2,(H2,7,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization