Molecule ID: mol23469

SMILES: CC/C(=C\c1cccc(Cl)c1)C(=O)O

InChI: InChI=1S/C11H11ClO2/c1-2-9(11(13)14)6-8-4-3-5-10(12)7-8/h3-7H,2H2,1H3,(H,13,14)/b9-6+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization