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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1599022
CHEMBL1599022
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H12Br2N2

Additional synonyms for CHEMBL1599022 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Br-].[Br-].C1C[n+]2ccccc2c3cccc[n+]13
Standard InChI InChI=1S/C12H12N2.2BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13 ...
Download InChI
Standard InChI Key ODPOAESBSUKMHD-UHFFFAOYSA-L

Structural Alerts

There are no structural alerts for CHEMBL1599022

Alternate Forms of Compound in ChEMBL


CHEMBL1599022

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
184.2 184.1 2.96 0 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
- - -1.87 -1.87 2 14 0.56

Compound Cross References

ChemSpider ChemSpider:ODPOAESBSUKMHD-UHFFFAOYSA-L
PubChem SID: 26757100
Wikipedia Diquat

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1599022



ACToR 34417-68-0 85-00-7
eMolecules 1056347
FDA SRS 6BDV3T272W
Mcule MCULE-3116450640
MolPort MolPort-001-812-996
PubChem 6794
PubChem: Thomson Pharma 14900484
SureChEMBL SCHEMBL52886

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