Molecule ID: mol36566

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

InChI: InChI=1S/C21H20O4/c1-14(2)17(21(24)25-3)19(20(22)23)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,1-3H3,(H,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization