Molecule ID: mol10536

SMILES: Cc1cccc(Br)c1C(=O)O

InChI: InChI=1S/C8H7BrO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.71 Datawarrior 0 » -1
2.71 OCHEM 0 » -1
2.71 OCHEM 0 » -1
2.71 QSARToolbox 0 » -1
2.71 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization