Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 793S7E8S2Y
EPA CompTox DTXSID20205939

Structure

InChI Key BKMDIBDWHXWKSV-UHFFFAOYSA-N
Smiles N#CCC1CCCC1
InChI
InChI=1/C7H11N/c8-6-5-7-3-1-2-4-7/h7H,1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H11N
Molecular Weight 109.09
AlogP 2.09
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 23.79
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 5732-87-6
NORMAN SUSDAT
FDA SRS 793S7E8S2Y
PubChem 79809