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

Structure

InChI Key JSNRRGGBADWTMC-QINSGFPZSA-N
Smiles CC(C)=CCCC(C)=C/CCC(=C)C=C
InChI
InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12-

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24
Molecular Weight 204.19
AlogP 5.2
Number of Rotational Bond 7.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 28973-97-9
NORMAN SUSDAT