Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10865945

Structure

InChI Key ZCFRWOFFFLZLDU-UHFFFAOYSA-N
Smiles COC(=O)c2ccccc2N=Cc1ccccc1
InChI
InChI=1/C15H13NO2/c1-18-15(17)13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h2-11H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H13NO2
Molecular Weight 239.09
AlogP 3.22
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 38.66
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 37837-44-8
NORMAN SUSDAT
PubChem 387183282
ChemSpider 142501.0