Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T09G246LET
EPA CompTox DTXSID2047141

Structure

InChI Key OSOIQJGOYGSIMF-UHFFFAOYSA-N
Smiles O=C1CCCCCCCCCCCCCC1
InChI
InChI=1S/C15H28O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H28O1
Molecular Weight 224.21
AlogP 5.03
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 502-72-7
NORMAN SUSDAT
FDA SRS T09G246LET
PubChem 10409
ChemSpider 9980.0