Molecule ID: mol9644

SMILES: Oc1ccc(O)c(Br)c1

InChI: InChI=1S/C6H5BrO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.67 IUPAC digitized pKa 0 » -1
8.67 Datawarrior 0 » -1
8.67 OCHEM 0 » -1
8.78 IUPAC digitized pKa 0 » -1
10.68 IUPAC digitized pKa -1 » -2
10.68 Datawarrior -1 » -2
10.77 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization