Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80888303

Structure

InChI Key LCCCGWWVPRIPBC-UHFFFAOYSA-N
Smiles N#CCC(=C1CC2CCC1C2)C
InChI
InChI=1/C11H15N/c1-8(4-5-12)11-7-9-2-3-10(11)6-9/h9-10H,2-4,6-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15N
Molecular Weight 161.12
AlogP 3.04
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 23.79
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 72928-05-3
NORMAN SUSDAT
PubChem 175290