Keyword(s): Human Metabolites
Molecule Category Free-form
UNII W6F5LM8Y54
EPA CompTox DTXSID50976463

Structure

InChI Key AOQONNCNKUWWRI-UHFFFAOYSA-N
Smiles O=C(Cl)OCC1CCCCC1
InChI
InChI=1/C8H13ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h7H,1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H13ClO2
Molecular Weight 176.06
AlogP 2.94
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 6099-86-1
NORMAN SUSDAT
FDA SRS W6F5LM8Y54
PubChem 80195