Keyword(s): Human Metabolites
Molecule Category Free-form
UNII F3NS4YG65Q
EPA CompTox DTXSID50871166

Structure

InChI Key RNZPQAZETZXKCQ-UHFFFAOYSA-N
Smiles O=C(OCC)C(Cl)CCl
InChI
InChI=1/C5H8Cl2O2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8Cl2O2
Molecular Weight 169.99
AlogP 1.4
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 6628-21-3
NORMAN SUSDAT
FDA SRS F3NS4YG65Q
PubChem 97946