Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2WNC3VU7ZV
EPA CompTox DTXSID50143911

Structure

InChI Key QYZFPLZQMZFBAZ-UHFFFAOYSA-N
Smiles CCOC(=O)CCCCCCl
InChI
InChI=1S/C8H15ClO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15Cl1O2
Molecular Weight 178.08
AlogP 2.35
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 26.3
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 10140-96-2
NORMAN SUSDAT
FDA SRS 2WNC3VU7ZV
PubChem 24999
ChemSpider 23368.0