Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 241Y7MZO9U

Structure

InChI Key GHKNNRITBAAVJP-HXUWFJFHSA-N
Smiles CCCCCCCCCCCCCCCC[C@@H](C)[N+](C)(C)[O-]
InChI
InChI=1S/C20H43NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(3,4)22/h20H,5-19H2,1-4H3/t20-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H43N1O1
Molecular Weight 313.33
AlogP 6.82
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 16.0
Polar Surface Area 23.06
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 71662-60-7
NORMAN SUSDAT
FDA SRS 241Y7MZO9U