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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106930
CHEMBL2106930
Compound Name POTASSIUM SORBATE
ChEMBL Synonyms POTASSIUM SORBATE
Max Phase 0
Trade Names
Molecular Formula C6H7KO2

Additional synonyms for CHEMBL2106930 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [K+].C\C=C\C=C\C(=O)[O-]
Standard InChI InChI=1S/C6H8O2.K/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/ ...
Download InChI
Standard InChI Key CHHHXKFHOYLYRE-STWYSWDKSA-M

Sources

  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2106930

Molecule Features

CHEMBL2106930 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unknown

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
112.1 112.0524 1.2 2 37.3 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.59 - 1.27 -1.49 0 8 0.43

Structural Alerts

There are 7 structural alerts for CHEMBL2106930. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CHHHXKFHOYLYRE-STWYSWDKSA-M
PubChem SID: 144209955

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106930



ACToR 590-00-1 24634-61-5 16577-94-9
Brenda 83911
ChEBI 77868
ChemicalBook CB3294185 CB0294184
eMolecules 500685
EPA CompTox Dashboard DTXSID7027835
FDA SRS 1VPU26JZZ4
MolPort MolPort-003-930-865
Nikkaji J837K J1.006E
PubChem 23676745
PubChem: Thomson Pharma 15146848
SureChEMBL SCHEMBL3640

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