Molecule ID: mol29676

SMILES: NS(=O)(=O)c1nnc(NC(=O)CCl)s1

InChI: InChI=1S/C4H5ClN4O3S2/c5-1-2(10)7-3-8-9-4(13-3)14(6,11)12/h1H2,(H2,6,11,12)(H,7,8,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.70 AttenGpKa training set 0 » -1
8.40 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization