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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL250212
CHEMBL250212
Compound Name SORBIC ACID
ChEMBL Synonyms E200 | SID56462787 | Sorbic Acid | Potassium Sorbate | SID17389732
Max Phase 0
Trade Names
Molecular Formula C6H8O2

Additional synonyms for CHEMBL250212 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C=C\C=C\C(=O)O
Standard InChI InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4 ...
Download InChI
Standard InChI Key WSWCOQWTEOXDQX-MQQKCMAXSA-N

Molecule Features

CHEMBL250212 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:Unclassified

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL250212

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
112.1 112.0524 1.36 0 2 Yes No ACID


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
4.6 - 1.27 -1.49 0 8 2 0.43

Compound Cross References

ChemSpider ChemSpider:WSWCOQWTEOXDQX-MQQKCMAXSA-N
PubChem SID: 17389732 SID: 56462787
Wikipedia Sorbic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL250212



ChEBI 38358
eMolecules 490862
FDA SRS X045WJ989B
Human Metabolome Database HMDB29581
PubChem: Thomson Pharma 15297063
PubChem 643460
NMRShiftDB 20036579

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