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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1161635
CHEMBL1161635
Compound Name BROMATE
ChEMBL Synonyms Bromate
Max Phase 0
Trade Names
Molecular Formula BrHO3

Additional synonyms for CHEMBL1161635 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OBr(=O)=O
Standard InChI InChI=1S/BrHO3/c2-1(3)4/h(H,2,3,4)
Standard InChI Key SXDBWCPKPHAZSM-UHFFFAOYSA-N

Sources

  • External Project Compounds
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1161635

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
128.9 127.9109 0.46 0 54.37 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - 0 4 0.52

Structural Alerts

There are 3 structural alerts for CHEMBL1161635. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SXDBWCPKPHAZSM-UHFFFAOYSA-N
Wikipedia Bromate Bromic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1161635



ChEBI 49382
EPA CompTox Dashboard DTXSID7064861
FDA SRS 908X3OZ87J
Nikkaji J95.891C
PubChem 24445
PubChem: Thomson Pharma 15297219
SureChEMBL SCHEMBL19461

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