Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2M9GLL38TN
EPA CompTox DTXSID3059846

Structure

InChI Key BFXHJFKKRGVUMU-UHFFFAOYSA-N
Smiles O=S(=O)(Cl)C1=CC=C(F)C=C1
InChI
InChI=1/C6H4ClFO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4ClFO2S
Molecular Weight 193.96
AlogP 1.75
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 34.14
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 349-88-2
NORMAN SUSDAT
FDA SRS 2M9GLL38TN
PubChem 9588