Molecule ID: mol31271

SMILES: O=C1C=C(O)C(Cc2ccc(Br)cc2)C1

InChI: InChI=1S/C12H11BrO2/c13-10-3-1-8(2-4-10)5-9-6-11(14)7-12(9)15/h1-4,7,9,15H,5-6H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization