Molecule ID: mol10547

SMILES: Cc1cccc(I)c1C(=O)O

InChI: InChI=1S/C8H7IO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization