Molecule ID: mol22995

SMILES: COCOc1c(C(=O)O)cccc1C(=O)O

InChI: InChI=1S/C10H10O6/c1-15-5-16-8-6(9(11)12)3-2-4-7(8)10(13)14/h2-4H,5H2,1H3,(H,11,12)(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization