Molecule ID: mol19101

SMILES: COCc1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O

InChI: InChI=1S/C17H17I2NO5/c1-24-8-10-7-11(2-3-15(10)21)25-16-12(18)4-9(5-13(16)19)6-14(20)17(22)23/h2-5,7,14,21H,6,8,20H2,1H3,(H,22,23)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.85 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization