Molecule ID: mol9954

SMILES: O=c1ccccc(O)c1O

InChI: InChI=1S/C7H6O3/c8-5-3-1-2-4-6(9)7(5)10/h1-4H,(H2,8,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.72 OCHEM 0 » -1
6.72 IUPAC digitized pKa 0 » -1
6.72 Datawarrior 0 » -1
6.72 AttenGpKa training set 0 » -1
11.52 IUPAC digitized pKa -1 » -2
11.52 Datawarrior -1 » -2
11.52 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization