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

Structure

InChI Key YFDREPVYVBGJDD-UHFFFAOYSA-N
Smiles CCCCCCCCC(CCCCCCCC)CCc1ccccc1
InChI
InChI=1S/C25H44/c1-3-5-7-9-11-14-18-24(19-15-12-10-8-6-4-2)22-23-25-20-16-13-17-21-25/h13,16-17,20-21,24H,3-12,14-15,18-19,22-23H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H44
Molecular Weight 344.34
AlogP 8.74
Number of Rotational Bond 17.0
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 5637-96-7
NORMAN SUSDAT