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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2105241
CHEMBL2105241
Compound Name POTASSIUM BENZOATE
ChEMBL Synonyms POTASSIUM BENZOATE
Max Phase 0
Trade Names
Molecular Formula C7H5KO2

Additional synonyms for CHEMBL2105241 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [K+].[O-]C(=O)c1ccccc1
Standard InChI InChI=1S/C7H6O2.K/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/ ...
Download InChI
Standard InChI Key XAEFZNCEHLXOMS-UHFFFAOYSA-M

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL2105241

Molecule Features

CHEMBL2105241 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Unknown Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov POTASSIUM BENZOATE
The Cochrane Collaboration POTASSIUM BENZOATE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
160.2 159.9927 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


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

Structural Alerts

There are no structural alerts for CHEMBL2105241

Compound Cross References

ChemSpider ChemSpider:XAEFZNCEHLXOMS-UHFFFAOYSA-M
PubChem SID: 144209945

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2105241



ACToR 582-25-2
eMolecules 884109
EPA CompTox Dashboard DTXSID1027219
FDA SRS 763YQN2K7K
MolPort MolPort-005-935-811
Nikkaji J43.329B
PubChem 23661960
PubChem: Thomson Pharma 15146987
SureChEMBL SCHEMBL16121

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