Molecule ID: mol6722

SMILES: Brc1cnoc1-c1ccccc1

InChI: InChI=1S/C9H6BrNO/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-5.58 IUPAC digitized pKa 1 » 0
-5.58 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization