Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90987679

Structure

InChI Key KTLDDJJTQKMYFY-UHFFFAOYSA-N
Smiles O=C(Cl)CCCCCC(C(=O)Cl)CC
InChI
InChI=1/C10H16Cl2O2/c1-2-8(10(12)14)6-4-3-5-7-9(11)13/h8H,2-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16Cl2O2
Molecular Weight 238.05
AlogP 3.49
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 34.14
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 68171-36-8
NORMAN SUSDAT
PubChem 21118475