Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DBL89NJ8Z3
EPA CompTox DTXSID60182174

Structure

InChI Key YWSGFNIDQLIDGL-UHFFFAOYSA-N
Smiles CCCCCCc1ccncc1
InChI
InChI=1S/C11H17N/c1-2-3-4-5-6-11-7-9-12-10-8-11/h7-10H,2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H17N1
Molecular Weight 163.14
AlogP 3.2
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 12.89
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 27876-24-0
NORMAN SUSDAT
FDA SRS DBL89NJ8Z3
PubChem 119735
ChemSpider 106908.0