Structure

InChI Key LIXKIXWSKOENAB-UHFFFAOYSA-N
Smile Cc1ccc(S(=O)(=O)NO)o1
InChI
InChI=1S/C5H7NO4S/c1-4-2-3-5(10-4)11(8,9)6-7/h2-3,6-7H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7NO4S
Molecular Weight 177.18
AlogP 0.26
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 79.54
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 11.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Failure 2 D006333 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297915
DrugBank DB14983
FDA SRS 2US4FK1EPV
PubChem 76685198
SureChEMBL SCHEMBL15878610
ZINC ZINC000145617689