Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WQ5ZKS3EK3
EPA CompTox DTXSID3027580

Structure

InChI Key CLWAXFZCVYJLLM-UHFFFAOYSA-N
Smiles ClCCCCCCCCCCCCCCCC
InChI
InChI=1/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H33Cl
Molecular Weight 260.23
AlogP 6.71
Number of Rotational Bond 14.0
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 4860-03-1
NORMAN SUSDAT
FDA SRS WQ5ZKS3EK3
PubChem 20993