Molecule ID: mol31278

SMILES: CC1=C(O)C(Cc2ccc(Br)cc2)CC1=O

InChI: InChI=1S/C13H13BrO2/c1-8-12(15)7-10(13(8)16)6-9-2-4-11(14)5-3-9/h2-5,10,16H,6-7H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization