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

Structure

InChI Key MKJHXLKVZNDNDB-UHFFFAOYSA-N
Smiles O=C(O)C(C=1C=CC=CC1)CCCCCCCCCCCCCCCC
InChI
InChI=1/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(24(25)26)22-19-16-15-17-20-22/h15-17,19-20,23H,2-14,18,21H2,1H3,(H,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H40O2
Molecular Weight 360.3
AlogP 7.73
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 17.0
Polar Surface Area 37.3
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 26854-48-8
NORMAN SUSDAT
PubChem 22015237