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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL183419
CHEMBL183419
Compound Name CYANIDE
ChEMBL Synonyms Sodium Cyanide | Cyanide
Max Phase 0
Trade Names
Molecular Formula CHN

Additional synonyms for CHEMBL183419 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C#N
Standard InChI InChI=1S/CHN/c1-2/h1H
Standard InChI Key LELOWRISYMNNSU-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL183419

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
27 27.0109 0.14 0 23.79 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.25 -.25 0 2 0.37

Structural Alerts

There are no structural alerts for CHEMBL183419

Compound Cross References

IRAC D - ENERGY METABOLISM
D24 - MITOCHONDRIAL COMPLEX IV ELECTRON TRANSPORT INHIBITORS
D2424B - CYANIDE
D2424B1 - CYANIDE
ChemSpider ChemSpider:LELOWRISYMNNSU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL183419



ACToR 191234-22-7 57-12-5 6914-07-4 74-90-8
BindingDB 50152968
Brenda 159 172 44213 118 111909 20302
ChEBI 18407
EPA CompTox Dashboard DTXSID9024148
FDA SRS 2WTB3V159F
Human Metabolome Database HMDB0060292
KEGG Ligand C01326
Mcule MCULE-9217589566
Metabolights MTBLC18407
Nikkaji J209.341C
PubChem 768
PubChem: Thomson Pharma 15119551
Recon cyan
Rhea 18407
SureChEMBL SCHEMBL244

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