Molecule ID: mol23086

SMILES: O=C(O)c1c(Cl)ccc(O)c1Br

InChI: InChI=1S/C7H4BrClO3/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2,10H,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization