Molecule ID: mol7171

SMILES: CNc1ncc(Br)c(C)n1

InChI: InChI=1S/C6H8BrN3/c1-4-5(7)3-9-6(8-2)10-4/h3H,1-2H3,(H,8,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization