Molecule ID: mol7274

SMILES: Nc1nc(C=Cc2ccccc2)nc(Cl)c1N

InChI: InChI=1S/C12H11ClN4/c13-11-10(14)12(15)17-9(16-11)7-6-8-4-2-1-3-5-8/h1-7H,14H2,(H2,15,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization