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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL452370
CHEMBL452370
Compound Name 1,2-DIBROMOETHANE
ChEMBL Synonyms 1,2-Dibromoethane
Max Phase 0
Trade Names
Molecular Formula C2H4Br2

Additional synonyms for CHEMBL452370 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES BrCCBr
Standard InChI InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2
Standard InChI Key PAAZPARNPHGIKF-UHFFFAOYSA-N

Sources

  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL452370

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
187.9 185.868 1.8 1 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
- - 2.02 2.02 0 4 0.55

Structural Alerts

There are 10 structural alerts for CHEMBL452370. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PAAZPARNPHGIKF-UHFFFAOYSA-N
PubChem SID: 144208625 SID: 144213196 SID: 17389939 SID: 26752959
Wikipedia 1,2-Dibromoethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL452370



ACToR 106-93-4
Atlas 1,2-Dibromoethane
Brenda 62387 105612 3956
ChEBI 28534
eMolecules 475456
EPA CompTox Dashboard DTXSID3020415
FDA SRS 1N41638RNO
Human Metabolome Database HMDB0060334
KEGG Ligand C11088
Mcule MCULE-7586462642
Metabolights MTBLC28534
MolPort MolPort-000-871-959
Nikkaji J4.038J
PubChem 7839
PubChem: Thomson Pharma 14769713
SureChEMBL SCHEMBL1698
ZINC ZINC000008234381

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