Molecule ID: mol7528

SMILES: Nc1nc(N)c(N=Nc2ccc(Cl)cc2)c(N)n1

InChI: InChI=1S/C10H10ClN7/c11-5-1-3-6(4-2-5)17-18-7-8(12)15-10(14)16-9(7)13/h1-4H,(H6,12,13,14,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.91 IUPAC digitized pKa 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization