Molecule ID: mol12797

SMILES: Ic1cccc(C2NCCS2)c1

InChI: InChI=1S/C9H10INS/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9,11H,4-5H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization