Molecule ID: mol27065

SMILES: O=C1CCC(=O)C1Cc1ccc(Br)cc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization