Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SY2S6RQL6Y
EPA CompTox DTXSID2062793

Structure

InChI Key VTXNOVCTHUBABW-UHFFFAOYSA-N
Smiles ClC(=O)c1cc(Cl)c(Cl)cc1
InChI
InChI=1S/C7H3Cl3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H3Cl3O1
Molecular Weight 207.92
AlogP 3.37
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 3024-72-4
NORMAN SUSDAT
FDA SRS SY2S6RQL6Y
PubChem 76403
ChemSpider 6988.0