Molecule ID: mol29683

SMILES: COc1c(O)ccc2oc3ccc(O)cc3c(=O)c12

InChI: InChI=1S/C14H10O5/c1-18-14-9(16)3-5-11-12(14)13(17)8-6-7(15)2-4-10(8)19-11/h2-6,15-16H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization