Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90869426

Structure

InChI Key BDYGNAKOXIGYCJ-UHFFFAOYSA-N
Smiles CC1C2CCC(C)(C2)C1C#N
InChI
InChI=1S/C10H15N/c1-7-8-3-4-10(2,5-8)9(7)6-11/h7-9H,3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N1
Molecular Weight 149.12
AlogP 2.58
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 104516-97-4
NORMAN SUSDAT
PubChem 113633
ChemSpider 101820.0