Molecule ID: mol9643

SMILES: Oc1ccc(Br)cc1O

InChI: InChI=1S/C6H5BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.70 IUPAC digitized pKa 0 » -1
8.70 AttenGpKa training set 0 » -1
12.40 IUPAC digitized pKa -1 » -2
12.40 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization