Molecule ID: mol14982

SMILES: Cc1nc(NS(=O)(=O)c2ccc(N)cc2)sc1C

InChI: InChI=1S/C11H13N3O2S2/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization