Molecule ID: mol6806

SMILES: Cc1n[nH]c(C)c1Br

InChI: InChI=1S/C5H7BrN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.30 IUPAC digitized pKa 1 » 0
2.30 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization