Molecule ID: mol12523

SMILES: O=C(O)C(I)=Cc1ccccc1

InChI: InChI=1S/C9H7IO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.24 Datawarrior 0 » -1
2.77 OCHEM 0 » -1
3.30 Datawarrior 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization