Molecule ID: mol8042

SMILES: Nc1cnc2c(Cl)ncnc2n1

InChI: InChI=1S/C6H4ClN5/c7-5-4-6(11-2-10-5)12-3(8)1-9-4/h1-2H,(H2,8,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization