Molecule ID: mol20914

SMILES: CCc1oc2ccccc2c(=O)c1C(=O)c1cc(I)c(O)c(I)c1

InChI: InChI=1S/C18H12I2O4/c1-2-13-15(17(22)10-5-3-4-6-14(10)24-13)16(21)9-7-11(19)18(23)12(20)8-9/h3-8,23H,2H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization