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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL195407
CHEMBL195407
Compound Name
ChEMBL Synonyms 1,4-Dibromobenzene | 1,4-Dibromo-Benzene
Max Phase 0
Trade Names
Molecular Formula C6H4Br2

Additional synonyms for CHEMBL195407 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Brc1ccc(Br)cc1
Standard InChI InChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H
Standard InChI Key SWJPEBQEEAHIGZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL195407

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
235.9 233.868 3.21 0 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.73 3.73 1 8 0.65

Structural Alerts

There are 2 structural alerts for CHEMBL195407. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SWJPEBQEEAHIGZ-UHFFFAOYSA-N
PubChem SID: 144208486 SID: 144213473 SID: 26757401
Wikipedia 1,4-Dibromobenzene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL195407



ACToR 106-37-6 26249-12-7
BindingDB 50159245
Brenda 136074
ChEBI 37150
ChemicalBook CB8676250
eMolecules 499265
EPA CompTox Dashboard DTXSID4024012
FDA SRS 9991W3M5HZ
IBM Patent System DB70A4934B2400690A9268FB27A0E9B1
Mcule MCULE-3811652101
MolPort MolPort-000-153-856
Nikkaji J3.607B
NMRShiftDB 20097227
PubChem 7804
PubChem: Thomson Pharma 14843885
SureChEMBL SCHEMBL18508
ZINC ZINC000000388500

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