Molecule ID: mol24894

SMILES: NNC(=O)c1ccc(I)cc1

InChI: InChI=1S/C7H7IN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization