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

Structure

InChI Key WSLAYIYHAUWLGL-UHFFFAOYSA-N
Smiles CCCCCCP(=O)(CCCCCC)CCCCCCO
InChI
InChI=1S/C18H39O2P/c1-3-5-7-12-16-21(20,17-13-8-6-4-2)18-14-10-9-11-15-19/h19H,3-18H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H39O2P1
Molecular Weight 318.27
AlogP 6.06
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 16.0
Polar Surface Area 37.3
Heavy Atoms 21.0

Cross References

Resources Reference
NORMAN SUSDAT