Molecule ID: mol30864

SMILES: O=C1C=CC(=Nc2ccc(O)cc2Br)C=C1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization