Molecule ID: mol7223

SMILES: CNc1nc(=N)cc(Cl)n1C

InChI: InChI=1S/C6H9ClN4/c1-9-6-10-5(8)3-4(7)11(6)2/h3H,1-2H3,(H2,8,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization