Molecule ID: mol11111

SMILES: O=c1o[nH]c(-c2ccccc2)c1Br

InChI: InChI=1S/C9H6BrNO2/c10-7-8(11-13-9(7)12)6-4-2-1-3-5-6/h1-5,11H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization