Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90992384

Structure

InChI Key FOJSPJUWKDLBIN-UHFFFAOYSA-N
Smiles ClC1=C(Cl)C(SC)=CC=C1O
InChI
InChI=1/C7H6Cl2OS/c1-11-5-3-2-4(10)6(8)7(5)9/h2-3,10H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6Cl2OS
Molecular Weight 207.95
AlogP 3.42
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 71750-46-4
NORMAN SUSDAT