Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID401006245

Structure

InChI Key GBMUPGVVEAHZSD-UHFFFAOYSA-N
Smiles O=C(Cl)OC1CCCCC1Cl
InChI
InChI=1/C7H10Cl2O2/c8-5-3-1-2-4-6(5)11-7(9)10/h5-6H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10Cl2O2
Molecular Weight 196.01
AlogP 2.91
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 85661-27-4
NORMAN SUSDAT
PubChem 3020869