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
Database Links
CAS Registry No. 1910-42-5 (source: Scifinder)
ChEMBL Ligand CHEMBL458019
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
Comments
The chemical structure shown here, and in the table links above, represent paraquat dichloride. The parent molecule has PubChem CID 15939.