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

Structure

InChI Key XSWHYGIUTGKKDX-UHFFFAOYSA-N
Smiles CC1COC(=O)CCCCCCCCC=CC1
InChI
InChI=1S/C15H26O2/c1-14-11-9-7-5-3-2-4-6-8-10-12-15(16)17-13-14/h7,9,14H,2-6,8,10-13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H26O2
Molecular Weight 238.19
AlogP 4.25
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 17.0

Cross References

Resources Reference
NORMAN SUSDAT