Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID401003053

Structure

InChI Key HBWBXXRQGCFPRB-UHFFFAOYSA-N
Smiles O=C(OCCCCCCCC)C(Cl)Cl
InChI
InChI=1/C10H18Cl2O2/c1-2-3-4-5-6-7-8-14-10(13)9(11)12/h9H,2-8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18Cl2O2
Molecular Weight 240.07
AlogP 3.69
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 26.3
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 83004-98-2
NORMAN SUSDAT
PubChem 525090