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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1644697
CHEMBL1644697
Compound Name SODIUM CYANIDE
ChEMBL Synonyms Sodium Cyanide
Max Phase 0
Trade Names
Molecular Formula CNNa

Additional synonyms for CHEMBL1644697 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[C-]#N
Standard InChI InChI=1S/CN.Na/c1-2;/q-1;+1
Standard InChI Key MNWBNISUBARLIT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1644697

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 CHEMBL1644697

Compound Cross References

ChemSpider ChemSpider:MNWBNISUBARLIT-UHFFFAOYSA-N
Wikipedia Sodium_cyanide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1644697



ACToR 143-33-9 13998-03-3
Brenda 860
ChEBI 33192
eMolecules 712558
EPA CompTox Dashboard DTXSID4024309
FDA SRS O5DDB9Z95G
KEGG Ligand C18673
PubChem 8929
PubChem: Thomson Pharma 15296848
SureChEMBL SCHEMBL387

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