Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FLU852CQR2
EPA CompTox DTXSID2060967

Structure

InChI Key IIQFBBQJYPGOHJ-UHFFFAOYSA-N
Smiles C1CCC(=CC1)N1CCOCC1
InChI
InChI=1S/C10H17NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h4H,1-3,5-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H17N1O1
Molecular Weight 167.13
AlogP 1.78
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 12.47
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 670-80-4
NORMAN SUSDAT
FDA SRS FLU852CQR2
PubChem 69589
ChemSpider 62793.0