Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 971UC454BB
EPA CompTox DTXSID9074305

Structure

InChI Key ZENZJGDPWWLORF-UHFFFAOYSA-N
Smiles CCCCCCCCC=CCCCCCCCC=O
InChI
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18H,2-8,11-17H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H34O
Molecular Weight 266.26
AlogP 6.22
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 15.0
Polar Surface Area 17.07
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 5090-41-5
NORMAN SUSDAT
FDA SRS 971UC454BB