Molecule ID: mol6811

SMILES: Cn1cc(Br)cn1

InChI: InChI=1S/C4H5BrN2/c1-7-3-4(5)2-6-7/h2-3H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization