Molecule ID: mol22841

SMILES: COC(=O)c1ccc(O)c(C(=O)O)c1

InChI: InChI=1S/C9H8O5/c1-14-9(13)5-2-3-7(10)6(4-5)8(11)12/h2-4,10H,1H3,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization