Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50171375

Structure

InChI Key KRKQHNVYOWTEQO-UHFFFAOYSA-N
Smiles N#CCCCCCCCCCCCCCC
InChI
InChI=1/C15H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H29N
Molecular Weight 223.23
AlogP 5.6
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 23.79
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 18300-91-9
NORMAN SUSDAT
PubChem 87568