Molecule ID: mol1672

SMILES: CSc1c(I)cc(N)cc1I

InChI: InChI=1S/C7H7I2NS/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,10H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.15 QSARToolbox 1 » 0
1.15 QSARToolbox 1 » 0
1.15 Hunt 1 » 0
1.15 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization