Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID3069221

Structure

InChI Key GORXOMQYBYURLM-UHFFFAOYSA-N
Smiles CCN(CCO)c1cc(C)c(cc1)N=O
InChI
InChI=1S/C11H16N2O2/c1-3-13(6-7-14)10-4-5-11(12-15)9(2)8-10/h4-5,8,14H,3,6-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H16N2O2
Molecular Weight 208.12
AlogP 2.21
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 52.9
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 58066-96-9
NORMAN SUSDAT
PubChem 93929
ChemSpider 84777.0