Molecule ID: mol9942

SMILES: O=C(O)c1cc(=O)cc(C(=O)O)o1

InChI: InChI=1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.88 AttenGpKa training set -1 » -2
2.32 AttenGpKa training set -1 » -2
2.36 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization