Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FRZ5EYH8V6
EPA CompTox DTXSID70215942

Structure

InChI Key SGPLAXFUDTWHRS-UHFFFAOYSA-N
Smiles [O-][N+](=O)c1ccc(cc1)N1CCCCC1
InChI
InChI=1S/C11H14N2O2/c14-13(15)11-6-4-10(5-7-11)12-8-2-1-3-9-12/h4-7H,1-3,8-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14N2O2
Molecular Weight 206.11
AlogP 2.59
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 46.38
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 6574-15-8
NORMAN SUSDAT
FDA SRS FRZ5EYH8V6
PubChem 81049
ChemSpider 73122.0