Keyword(s): Human Metabolites
Molecule Category Free-form
UNII H6Z666S2LJ
EPA CompTox DTXSID30190120

Structure

InChI Key INJZMNQWJIWOEA-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCOC(=O)CCCCCCCCCCC
InChI
InChI=1S/C25H50O2/c1-3-5-7-9-11-13-14-16-18-20-22-24-27-25(26)23-21-19-17-15-12-10-8-6-4-2/h3-24H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H50O2
Molecular Weight 382.38
AlogP 8.76
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 22.0
Polar Surface Area 26.3
Heavy Atoms 27.0

Cross References

Resources Reference
CAS NUMBER 36665-67-5
NORMAN SUSDAT
FDA SRS H6Z666S2LJ
PubChem 3015855
ChemSpider 2283908.0