Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2P6FR9SY79
EPA CompTox DTXSID50232213

Structure

InChI Key UOJCTEGNHXRPKO-UHFFFAOYSA-N
Smiles O=S(=O)(Cl)C=1C(F)=C(F)C(F)=C(F)C1F
InChI
InChI=1/C6ClF5O2S/c7-15(13,14)6-4(11)2(9)1(8)3(10)5(6)12

Physicochemical Descriptors

Property Name Value
Molecular Formula C6ClF5O2S
Molecular Weight 265.92
AlogP 2.31
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 34.14
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 832-53-1
NORMAN SUSDAT
FDA SRS 2P6FR9SY79
PubChem 70026