Molecule ID: mol30863

SMILES: O=C1C=CC(=Nc2ccc(O)c(Br)c2)C=C1

InChI: InChI=1S/C12H8BrNO2/c13-11-7-9(3-6-12(11)16)14-8-1-4-10(15)5-2-8/h1-7,16H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization