Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80967546

Structure

InChI Key YDVGXVAWWFKAKA-UHFFFAOYSA-N
Smiles OCC(O)CNC1CCCCC1
InChI
InChI=1/C9H19NO2/c11-7-9(12)6-10-8-4-2-1-3-5-8/h8-12H,1-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H19NO2
Molecular Weight 173.14
AlogP 0.26
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 52.49
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 53052-03-2
NORMAN SUSDAT
PubChem 103729