Keyword(s): Natural Toxins
Molecule Category Free-form
UNII E58YT08G4A
EPA CompTox DTXSID101014415

Structure

InChI Key JEIZLWNUBXHADF-UHFFFAOYSA-N
Smiles CC(=O)CC1CCCCN1
InChI
InChI=1/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15NO
Molecular Weight 141.12
AlogP 1.11
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 29.1
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 2858-66-4
NORMAN SUSDAT
FDA SRS E58YT08G4A
PubChem 92987
ChemSpider 21172044.0