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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1348453
CHEMBL1348453
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula BrNaO3

Additional synonyms for CHEMBL1348453 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[O-]Br(=O)=O
Standard InChI InChI=1S/BrHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1
Standard InChI Key XUXNAKZDHHEHPC-UHFFFAOYSA-M

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1348453

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 -2.94 0 66.35 -


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 0.38

Structural Alerts

There are 3 structural alerts for CHEMBL1348453. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XUXNAKZDHHEHPC-UHFFFAOYSA-M
PubChem SID: 144209732 SID: 17388736 SID: 17388737

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1348453



ChEBI 75229
ChemicalBook CB6181002
eMolecules 881640
EPA CompTox Dashboard DTXSID9023837
FDA SRS U54JK6453O
MolPort MolPort-001-757-237
Nikkaji J44.033G
PubChem 23668195
PubChem: Thomson Pharma 15321626
SureChEMBL SCHEMBL78733

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