Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6051722

Structure

InChI Key QCTZUSWOKFCWNB-QXMHVHEDSA-N
Smiles CCCCCCCCC=C/CCCCCCCC[N+](C)(C)[O-]
InChI
InChI=1S/C20H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22/h11-12H,4-10,13-20H2,1-3H3/b12-11-

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H41N1O1
Molecular Weight 311.32
AlogP 6.6
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 14351-50-9
NORMAN SUSDAT
PubChem 6435847
ChemSpider 4940537.0