Molecule ID: mol12528

SMILES: O=C(O)/C=C(\I)c1ccccc1

InChI: InChI=1S/C9H7IO2/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
3.40 Datawarrior 0 » -1
3.40 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization