Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID301001723

Structure

InChI Key FCZIJASKFXRHTO-UHFFFAOYSA-N
Smiles FC(Cl)C(F)(F)SC=1C=CC=CC1N
InChI
InChI=1/C8H7ClF3NS/c9-7(10)8(11,12)14-6-4-2-1-3-5(6)13/h1-4,7H,13H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H7ClF3NS
Molecular Weight 240.99
AlogP 3.49
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 26.02
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 81029-02-9
NORMAN SUSDAT
PubChem 580268