Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R265G157TQ
EPA CompTox DTXSID80862062

Structure

InChI Key YHRUHBBTQZKMEX-UHFFFAOYSA-N
Smiles CC(=CCCC(=CCCC(=CC=O)C)C)C
InChI
InChI=1/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24O
Molecular Weight 220.18
AlogP 4.6
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 17.07
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 19317-11-4
NORMAN SUSDAT
FDA SRS R265G157TQ