Molecule ID: mol7151

SMILES: Cn1cc(Br)c(C(C)(C)C)nc1=N

InChI: InChI=1S/C9H14BrN3/c1-9(2,3)7-6(10)5-13(4)8(11)12-7/h5,11H,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization