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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1161633
CHEMBL1161633
Compound Name CHLORATE
ChEMBL Synonyms Chlorate
Max Phase 0
Trade Names
Molecular Formula HClO3

Additional synonyms for CHEMBL1161633 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCl(=O)=O
Standard InChI InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)
Standard InChI Key XTEGARKTQYYJKE-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1161633

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
84.5 83.9614 -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 0.34

Structural Alerts

There are 3 structural alerts for CHEMBL1161633. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XTEGARKTQYYJKE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1161633



Brenda 2266
ChEBI 17322
DrugBank DB14150
EPA CompTox Dashboard DTXSID1047449
FDA SRS Z0V9L75H3K
KEGG Ligand C01485
Nikkaji J74.689D
PubChem 19654
PubChem: Thomson Pharma 15194178
SureChEMBL SCHEMBL18802

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