Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FN7L4NA599
EPA CompTox DTXSID70166324

Structure

InChI Key HUTHUTALXJNNRS-UHFFFAOYSA-N
Smiles C1CCC(CC1)c1ncccc1
InChI
InChI=1S/C11H15N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h4-5,8-10H,1-3,6-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15N1
Molecular Weight 161.12
AlogP 3.13
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 12.89
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 15787-49-2
NORMAN SUSDAT
FDA SRS FN7L4NA599
PubChem 85105
ChemSpider 76760.0