Molecule ID: mol23419

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

InChI: InChI=1S/C10H9ClO2/c1-7(10(12)13)5-8-3-2-4-9(11)6-8/h2-6H,1H3,(H,12,13)/b7-5+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization