Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20172950

Structure

InChI Key WZILXAPNPKMOSA-UHFFFAOYSA-N
Smiles ClCCCCCC(=O)Cl
InChI
InChI=1S/C6H10Cl2O/c7-5-3-1-2-4-6(8)9/h1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10Cl2O1
Molecular Weight 168.01
AlogP 2.55
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 17.07
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 19347-73-0
NORMAN SUSDAT
PubChem 88014
ChemSpider 79402.0