Structure

InChI Key WBZFUFAFFUEMEI-UHFFFAOYSA-M
Smiles CC1=CC(=O)[N-]S(=O)(=O)O1.[K+]
InChI
InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4KNO4S
Molecular Weight 201.24
AlogP -0.72
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Polar Surface Area 72.47
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 55589-62-3
ChEMBL CHEMBL1351474
FDA SRS 23OV73Q5G9
PubChem 11074431
SureChEMBL SCHEMBL17454392