Molecule ID: mol23258

SMILES: COc1cc(OC)c(OC)c([C@@H]2OC(=O)c3c2c(C(=O)O)c2cccc(OC)c2c3OC)c1

InChI: InChI=1S/C24H22O9/c1-28-11-9-13(20(31-4)15(10-11)30-3)21-18-17(23(25)26)12-7-6-8-14(29-2)16(12)22(32-5)19(18)24(27)33-21/h6-10,21H,1-5H3,(H,25,26)/t21-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization