Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KQG8YY9DP5
EPA CompTox DTXSID70237967

Structure

InChI Key BEDWVNVYPXSFLZ-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)SCl
InChI
InChI=1S/C6ClF13S/c7-21-6(19,20)4(14,15)2(10,11)1(8,9)3(12,13)5(16,17)18

Physicochemical Descriptors

Property Name Value
Molecular Formula C6Cl1F13S1
Molecular Weight 385.92
AlogP 5.57
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 89987-98-4
NORMAN SUSDAT
FDA SRS KQG8YY9DP5
PubChem 3021589
ChemSpider 2288213.0