Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HZV3Z32TX8
EPA CompTox DTXSID10196448

Structure

InChI Key WEPUZBYKXNKSDH-UHFFFAOYSA-N
Smiles O=C(Cl)C1CCCC1
InChI
InChI=1/C6H9ClO/c7-6(8)5-3-1-2-4-5/h5H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H9ClO
Molecular Weight 132.03
AlogP 1.94
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 4524-93-0
NORMAN SUSDAT
FDA SRS HZV3Z32TX8
PubChem 78284