Molecule ID: mol6816

SMILES: Cc1nn(C)c(C)c1Br

InChI: InChI=1S/C6H9BrN2/c1-4-6(7)5(2)9(3)8-4/h1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization