Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S7JC6SEH3Q
EPA CompTox DTXSID30950589

Structure

InChI Key ILZYHMZOLCNNCP-UHFFFAOYSA-N
Smiles FC=1C(F)=C(F)C(SCl)=C(F)C1F
InChI
InChI=1/C6ClF5S/c7-13-6-4(11)2(9)1(8)3(10)5(6)12

Physicochemical Descriptors

Property Name Value
Molecular Formula C6ClF5S
Molecular Weight 233.93
AlogP 3.63
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 27918-31-6
NORMAN SUSDAT
FDA SRS S7JC6SEH3Q
PubChem 119749