Molecule ID: mol6807

SMILES: Cc1cc(Br)n(C)n1

InChI: InChI=1S/C5H7BrN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization