[11C]doxepin

Ligand id: 3958

Name: [11C]doxepin    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 12.47
Molecular weight 279.16
XLogP 5.11
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
Synonyms
[11C]-doxepin
Database Links
ChEMBL Ligand CHEMBL860
PubChem CID 667477
RCSB PDB Ligand 5EH
Search Google for chemical match using the InChIKey ODQWQRRAPPTVAG-GZTJUZNOSA-N
Search Google for chemicals with the same backbone ODQWQRRAPPTVAG
Comments
Plase note that the image shown here does not specify the position of the carbon isotope.