Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NTY2DS4AQP
EPA CompTox DTXSID7059721

Structure

InChI Key LVIMBOHJGMDKEJ-UHFFFAOYSA-N
Smiles O=C(Cl)CCCCCC(=O)Cl
InChI
InChI=1/C7H10Cl2O2/c8-6(10)4-2-1-3-5-7(9)11/h1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10Cl2O2
Molecular Weight 196.01
AlogP 2.47
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 34.14
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 142-79-0
NORMAN SUSDAT
FDA SRS NTY2DS4AQP
PubChem 67341