Molecule ID: mol23011

SMILES: O=C(O)c1cc(Br)cc(CO)c1

InChI: InChI=1S/C8H7BrO3/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3,10H,4H2,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization