Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key HPSWUFMMLKGKDS-DNKOKRCQSA-N
Smiles CCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C/C(O)=O
InChI
InChI=1S/C24H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h12-23H,2-11H2,1H3,(H,25,26)/b13-12+,15-14+,17-16+,19-18+,21-20+,23-22+

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H36O2
Molecular Weight 356.27
AlogP 7.33
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 16.0
Polar Surface Area 37.3
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 81247-23-6
NORMAN SUSDAT