Molecule ID: mol20279

SMILES: N#CNS(=O)(=O)c1ccc(N)cc1

InChI: InChI=1S/C7H7N3O2S/c8-5-10-13(11,12)7-3-1-6(9)2-4-7/h1-4,10H,9H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization