Molecule ID: mol19095

SMILES: Cc1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O

InChI: InChI=1S/C16H15I2NO4/c1-8-4-10(2-3-14(8)20)23-15-11(17)5-9(6-12(15)18)7-13(19)16(21)22/h2-6,13,20H,7,19H2,1H3,(H,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization