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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1438332
CHEMBL1438332
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C2H2Br4

Additional synonyms for CHEMBL1438332 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES BrC(Br)C(Br)Br
Standard InChI InChI=1S/C2H2Br4/c3-1(4)2(5)6/h1-2H
Standard InChI Key QXSZNDIIPUOQMB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1438332

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
345.7 341.689 3.22 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
- - 3.02 3.02 0 6 0.64

Structural Alerts

There are 9 structural alerts for CHEMBL1438332. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QXSZNDIIPUOQMB-UHFFFAOYSA-N
PubChem SID: 144207562 SID: 17389491

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1438332



ACToR 79-27-6
eMolecules 480968
EPA CompTox Dashboard DTXSID1026083
FDA SRS V00GKC584O
IBM Patent System 721FDD6ADD5D66300199AF819D6089CD
Mcule MCULE-8965281409
MolPort MolPort-000-875-339
Nikkaji J3.838E
NMRShiftDB 11014
PubChem 6588
PubChem: Thomson Pharma 15977078
SureChEMBL SCHEMBL14963
ZINC ZINC000006827641

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