Molecule ID: mol19088

SMILES: NC(Cc1cc(I)c(Oc2ccc(O)c(CO)c2)c(I)c1)C(=O)O

InChI: InChI=1S/C16H15I2NO5/c17-11-3-8(5-13(19)16(22)23)4-12(18)15(11)24-10-1-2-14(21)9(6-10)7-20/h1-4,6,13,20-21H,5,7,19H2,(H,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization