Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EL7M4232GJ

Structure

InChI Key MYGRPRSFUHJZPY-UHFFFAOYSA-N
Smiles CCCCCCCCC1OC(=O)c2ccccc12
InChI
InChI=1S/C16H22O2/c1-2-3-4-5-6-7-12-15-13-10-8-9-11-14(13)16(17)18-15/h8-11,15H,2-7,12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H22O2
Molecular Weight 246.16
AlogP 4.65
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 26.3
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 137786-58-4
NORMAN SUSDAT
FDA SRS EL7M4232GJ