Molecule ID: mol35053

SMILES: CC(C)=C(C(=O)O)C(C(=O)O)=C(c1ccccc1)c1ccccc1

InChI: InChI=1S/C20H18O4/c1-13(2)16(19(21)22)18(20(23)24)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,1-2H3,(H,21,22)(H,23,24)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.93 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization