Molecule ID: mol6815

SMILES: Brc1cn[nH]c1-c1ccccc1

InChI: InChI=1S/C9H7BrN2/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization