Molecule ID: mol29728

SMILES: COc1c(O)cc(O)c2c(=O)c3cc(O)ccc3oc12

InChI: InChI=1S/C14H10O6/c1-19-13-9(17)5-8(16)11-12(18)7-4-6(15)2-3-10(7)20-14(11)13/h2-5,15-17H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization