Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90984224

Structure

InChI Key RUVAAQJZCQKNAU-UHFFFAOYSA-N
Smiles O=C(Cl)OC1CCCCCCCCCCC1
InChI
InChI=1/C13H23ClO2/c14-13(15)16-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H23ClO2
Molecular Weight 246.14
AlogP 5.04
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 65676-18-8
NORMAN SUSDAT
PubChem 3017617