Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UEV83W8FHE
EPA CompTox DTXSID60177424

Structure

InChI Key AJAKVPMSAABZRX-UHFFFAOYSA-N
Smiles CCOc1cc2cccnc2cc1
InChI
InChI=1S/C11H11NO/c1-2-13-10-5-6-11-9(8-10)4-3-7-12-11/h3-8H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H11N1O1
Molecular Weight 173.08
AlogP 2.63
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 22.12
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 22883-85-8
NORMAN SUSDAT
FDA SRS UEV83W8FHE
PubChem 89883
ChemSpider 81132.0