Molecule ID: mol22276

SMILES: O=C(O)C12CCC(C1)C(I)C2

InChI: InChI=1S/C8H11IO2/c9-6-4-8(7(10)11)2-1-5(6)3-8/h5-6H,1-4H2,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization