Molecule ID: mol23363

SMILES: O=C(O)/C=C(/Cl)c1ccccc1

InChI: InChI=1S/C9H7ClO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-6H,(H,11,12)/b8-6+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization