Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 97D1SF0719
EPA CompTox DTXSID1027471

Structure

InChI Key RNHWYOLIEJIAMV-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCl
InChI
InChI=1S/C14H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H29Cl1
Molecular Weight 232.2
AlogP 5.93
Number of Rotational Bond 12.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 2425-54-9
NORMAN SUSDAT
FDA SRS 97D1SF0719
PubChem 17043
ChemSpider 16144.0