Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 72BA2TW2QD
EPA CompTox DTXSID90168264

Structure

InChI Key KIYRTZOGFLTVIC-UHFFFAOYSA-N
Smiles N#CCCOC1CCCCC1
InChI
InChI=1S/C9H15NO/c10-7-4-8-11-9-5-2-1-3-6-9/h9H,1-6,8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H15N1O1
Molecular Weight 153.12
AlogP 2.25
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 33.02
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 16728-52-2
NORMAN SUSDAT
FDA SRS 72BA2TW2QD
PubChem 85578
ChemSpider 77182.0