Molecule ID: mol30785

SMILES: Cc1c2c(c(O)c3c(O)cccc13)C(=O)OC2C

InChI: InChI=1S/C14H12O4/c1-6-8-4-3-5-9(15)11(8)13(16)12-10(6)7(2)18-14(12)17/h3-5,7,15-16H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization