Molecule ID: mol30784

SMILES: O=C1CCCc2c1c(O)c1c(O)cccc1c2O

InChI: InChI=1S/C14H12O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1,3,5,15,17-18H,2,4,6H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization