paraquat

Ligand id: 4552

Name: paraquat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 7.76
Molecular weight 256.05
XLogP 3.25
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium dichloride
Synonyms
1,1'-dimethyl-4,4' bipyridinium dichloride
Comments
The chemical structure shown here, and in the table links above, represent paraquat dichloride. The parent molecule has PubChem CID 15939.
Database Links
CAS Registry No. 1910-42-5 (source: Scifinder)
ChEMBL Ligand CHEMBL458019
GtoPdb PubChem SID 178101273
PubChem CID 15938
Search Google for chemical match using the InChIKey FIKAKWIAUPDISJ-UHFFFAOYSA-L
Search Google for chemicals with the same backbone FIKAKWIAUPDISJ
Search UniChem for chemical match using the InChIKey FIKAKWIAUPDISJ-UHFFFAOYSA-L
Search UniChem for chemicals with the same backbone FIKAKWIAUPDISJ
Wikipedia Paraquat