Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G6CCC2QR5A
EPA CompTox DTXSID3060879

Structure

InChI Key LEMIDOZYVQXGLI-UHFFFAOYSA-N
Smiles CCCCCCCSCCCCCCC
InChI
InChI=1S/C14H30S/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-14H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H30S1
Molecular Weight 230.21
AlogP 5.66
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 12.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 629-65-2
NORMAN SUSDAT
FDA SRS G6CCC2QR5A
PubChem 69422
ChemSpider 62630.0