Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NI19TV232A
EPA CompTox DTXSID30873461

Structure

InChI Key NQYKSVOHDVVDOR-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCC
InChI
InChI=1S/C32H67N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H67N1
Molecular Weight 465.53
AlogP 11.54
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 30.0
Polar Surface Area 12.03
Heavy Atoms 33.0

Cross References

Resources Reference
CAS NUMBER 16724-61-1
NORMAN SUSDAT
FDA SRS NI19TV232A
PubChem 85571
ChemSpider 77175.0