Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80182873

Structure

InChI Key GMMKZUPOLVXWFF-UHFFFAOYSA-N
Smiles Cc1cnc2CCCCc2c1
InChI
InChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h6-7H,2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13N1
Molecular Weight 147.1
AlogP 2.27
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 28712-62-1
NORMAN SUSDAT
PubChem 120028
ChemSpider 107155.0