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
ChEMBL CHEMBL1351474
FDA SRS 23OV73Q5G9
PubChem 11074431
SureChEMBL SCHEMBL17454392