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

Structure

InChI Key KZWFMOHCIQNTCU-AUYXYSRISA-N
Smiles C(=CCCCCCCCCN(C)CCCCCCCCC=CCCCCCCCC)CCCCCCCC
InChI
InChI=1/C37H73N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21H,4-17,22-37H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H73N
Molecular Weight 531.57
AlogP 12.99
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 32.0
Polar Surface Area 3.24
Heavy Atoms 38.0

Cross References

Resources Reference
CAS NUMBER 7173-65-1
NORMAN SUSDAT
PubChem 15706419