Keyword(s): Human Metabolites
Molecule Category Free-form
UNII F7C0V01SK6
EPA CompTox DTXSID4062698

Structure

InChI Key RSINFFVFOTUDEC-UHFFFAOYSA-N
Smiles ClC(=O)c1c(Cl)ccc(Cl)c1
InChI
InChI=1S/C7H3Cl3O/c8-4-1-2-6(9)5(3-4)7(10)11/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 2905-61-5
NORMAN SUSDAT
FDA SRS F7C0V01SK6
PubChem 17945
ChemSpider 5124.0