Molecule ID: mol32875

SMILES: CCOC(=O)C(=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C)=O

InChI: InChI=1S/C21H30O4/c1-9-25-19(24)15(13(2)22)10-14-11-16(20(3,4)5)18(23)17(12-14)21(6,7)8/h10-12,23H,9H2,1-8H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization