Molecule ID: mol25392

SMILES: C[n+]1c[nH]cc1Br

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization