Keyword(s): Human Metabolites
Molecule Category Free-form
UNII X7CW7C2XXR
EPA CompTox DTXSID5059402

Structure

InChI Key PWAXUOGZOSVGBO-UHFFFAOYSA-N
Smiles O=C(Cl)CCCCC(=O)Cl
InChI
InChI=1/C6H8Cl2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8Cl2O2
Molecular Weight 181.99
AlogP 2.08
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 34.14
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 111-50-2
NORMAN SUSDAT
FDA SRS X7CW7C2XXR
PubChem 61034