Molecule ID: mol6810

SMILES: Cc1cc(Br)n[nH]1

InChI: InChI=1S/C4H5BrN2/c1-3-2-4(5)7-6-3/h2H,1H3,(H,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization