Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6Y4KG01SAB
EPA CompTox DTXSID401019769

Structure

InChI Key AVHNDAZRNRAYTP-FPLPWBNLSA-N
Smiles CCCCCC/C=CCCCCCC=O
InChI
InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h7-8,14H,2-6,9-13H2,1H3/b8-7-

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H26O1
Molecular Weight 210.2
AlogP 4.66
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 17.07
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 65128-96-3
NORMAN SUSDAT
FDA SRS 6Y4KG01SAB
PubChem 5364468
ChemSpider 4446488.0