Molecule ID: mol37068

SMILES: COc1cc(/C=C/C(=O)C=C(O)/C=C/c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O

InChI: InChI=1S/C25H24O8/c1-16(26)32-22-11-7-18(13-24(22)30-3)5-9-20(28)15-21(29)10-6-19-8-12-23(33-17(2)27)25(14-19)31-4/h5-15,28H,1-4H3/b9-5+,10-6+,20-15?

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
11.26 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization