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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL458019
CHEMBL458019
Compound Name PARAQUAT DICHLORIDE
ChEMBL Synonyms Methyl Viologen | Paraquat
Max Phase 0
Trade Names
Molecular Formula C12H14Cl2N2

Additional synonyms for CHEMBL458019 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].[Cl-].C[n+]1ccc(cc1)c2cc[n+](C)cc2
Standard InChI InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6- ...
Download InChI
Standard InChI Key FIKAKWIAUPDISJ-UHFFFAOYSA-L

Alternate Forms of Compound in ChEMBL


CHEMBL458019

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
186.3 186.1157 2.56 1 7.76 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -2.56 -2.56 2 14 0.61

Structural Alerts

There are 4 structural alerts for CHEMBL458019. To view alerts please click here.

Compound Cross References

HRAC D - PHOTOSYSTEM-I-ELECTRON DIVERSION
D1 - BIPYRIDYLIUM
D12 - PARAQUAT
ChemSpider ChemSpider:FIKAKWIAUPDISJ-UHFFFAOYSA-L
PubChem SID: 57260150
Wikipedia Paraquat

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL458019



ACToR 1910-42-5 136338-65-3
Atlas methyl viologen methyl viologen dichloride
ChEBI 28786
eMolecules 497112
EPA CompTox Dashboard DTXSID7024243
FDA SRS 2KZ83GSS73
Guide to Pharmacology 4552
Human Metabolome Database HMDB33121
KEGG Ligand C00225
Mcule MCULE-7000160142
MolPort MolPort-002-328-631
PubChem 15938
PubChem: Thomson Pharma 14823628
SureChEMBL SCHEMBL21653

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/FIKAKWIAUPDISJ-UHFFFAOYSA-L spacer
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