Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60232749

Structure

InChI Key OUSRURSEKXEDCJ-UHFFFAOYSA-N
Smiles CCCCCCCc1ccc(cc1)C(=O)Oc1ccc(CCC)cc1
InChI
InChI=1S/C23H30O2/c1-3-5-6-7-8-10-20-11-15-21(16-12-20)23(24)25-22-17-13-19(9-4-2)14-18-22/h11-18H,3-10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H30O2
Molecular Weight 338.22
AlogP 6.37
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 26.3
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 83846-94-0
NORMAN SUSDAT
PubChem 3019413
ChemSpider 2286633.0