compound 8 [PMID: 15482908]

Ligand id: 6448

Name: compound 8 [PMID: 15482908]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 80.28
Molecular weight 266.07
XLogP 2.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)benzonitrile
Database Links
ChEMBL Ligand CHEMBL187107
GtoPdb PubChem SID 178103064
PubChem CID 10400683
Search Google for chemical match using the InChIKey NNUSSUPIQZLYJW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NNUSSUPIQZLYJW
Search UniChem for chemical match using the InChIKey NNUSSUPIQZLYJW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NNUSSUPIQZLYJW