compound 18 [PMID: 21927650]

Ligand id: 6442

Name: compound 18 [PMID: 21927650]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 61.12
Molecular weight 270.06
XLogP 3.62
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-fluoro-5-(2-methyl-2,3-dihydro-1,3-benzothiazol-5-yl)benzonitrile
Database Links
GtoPdb PubChem SID 178103058
PubChem CID 73755222
Search Google for chemical match using the InChIKey DUFLWBPOXGXKEK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DUFLWBPOXGXKEK
Search UniChem for chemical match using the InChIKey DUFLWBPOXGXKEK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DUFLWBPOXGXKEK