Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AE8H7R8K7A
EPA CompTox DTXSID8062608

Structure

InChI Key RVOJTCZRIKWHDX-UHFFFAOYSA-N
Smiles ClC(=O)C1CCCCC1
InChI
InChI=1S/C7H11ClO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H11Cl1O1
Molecular Weight 146.05
AlogP 2.33
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 2719-27-9
NORMAN SUSDAT
FDA SRS AE8H7R8K7A
PubChem 75938
ChemSpider 68442.0