Molecule ID: mol7148

SMILES: CC(C)(C)Nc1ncc(Br)cn1

InChI: InChI=1S/C8H12BrN3/c1-8(2,3)12-7-10-4-6(9)5-11-7/h4-5H,1-3H3,(H,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization