Molecule ID: mol28478

SMILES: CC1=CN(NS(=O)(=O)c2ccc(N)cc2)NO1

InChI: InChI=1S/C9H12N4O3S/c1-7-6-13(11-16-7)12-17(14,15)9-4-2-8(10)3-5-9/h2-6,11-12H,10H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization