Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MT82Z9427A
EPA CompTox DTXSID50977859

Structure

InChI Key WQULVXNWEYLDJY-UHFFFAOYSA-N
Smiles O=C(OCCCl)OCCCl
InChI
InChI=1/C5H8Cl2O3/c6-1-3-9-5(8)10-4-2-7/h1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8Cl2O3
Molecular Weight 185.99
AlogP 1.62
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 35.53
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 623-97-2
NORMAN SUSDAT
FDA SRS MT82Z9427A
PubChem 69345