Molecule ID: mol22708

SMILES: O=Cc1ccc(O)c(C(=O)O)c1

InChI: InChI=1S/C8H6O4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H,(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.19 AttenGpKa training set 0 » -1
2.76 QSARToolbox 0 » -1
2.76 QSARToolbox 0 » -1
10.91 QSARToolbox -1 » -2
10.91 QSARToolbox -1 » -2
10.91 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization