Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30981217

Structure

InChI Key SNVVZCPNLVAKLC-UHFFFAOYSA-N
Smiles O=C(CCl)CCCCC
InChI
InChI=1/C7H13ClO/c1-2-3-4-5-7(9)6-8/h2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13ClO
Molecular Weight 148.07
AlogP 2.37
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 17.07
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 63938-08-9
NORMAN SUSDAT
PubChem 10953678