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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL369611
CHEMBL369611
Compound Name SODIUM FLUOROACETATE
ChEMBL Synonyms Sodium Fluoro-Acetate
Max Phase 0
Trade Names
Molecular Formula C2H2FO2.Na

Additional synonyms for CHEMBL369611 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[O-]C(=O)CF
Standard InChI InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
Standard InChI Key JGFYQVQAXANWJU-UHFFFAOYSA-M

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL369611

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
78 78.0117 0.06 1 37.29 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.62 - -.11 -3.82 0 5 0.48

Structural Alerts

There are 5 structural alerts for CHEMBL369611. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JGFYQVQAXANWJU-UHFFFAOYSA-M
PubChem SID: 144211737 SID: 26749788
Wikipedia Sodium_fluoroacetate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL369611



ACToR 62-74-8
Brenda 138679
ChEBI 38699
eMolecules 910854
EPA CompTox Dashboard DTXSID8024311
FDA SRS 166WTM3843
KEGG Ligand C18588
MolPort MolPort-001-776-560
Nikkaji J2.353A
PubChem 16212360
PubChem: Thomson Pharma 15296980
SureChEMBL SCHEMBL226060

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