Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00147020

Structure

InChI Key OXXAGZCRGWURQM-UHFFFAOYSA-N
Smiles CCCCCCCCCc1ncccc1
InChI
InChI=1S/C14H23N/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15-14/h9-10,12-13H,2-8,11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H23N1
Molecular Weight 205.18
AlogP 4.37
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 12.89
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 10523-35-0
NORMAN SUSDAT
PubChem 82697
ChemSpider 74628.0