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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL324846
CHEMBL324846
Compound Name OCTANOIC ACID
ChEMBL Synonyms SID17388833 | Octanoic Acid | SID85272331 | Sodium Caprylate | SID17389655
Max Phase 0
Trade Names
Molecular Formula C8H16O2

Additional synonyms for CHEMBL324846 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCC(=O)O
Standard InChI InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
Standard InChI Key WWZKQHOCKIZLMA-UHFFFAOYSA-N

Molecule Features

CHEMBL324846 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


CHEMBL324846

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
144.2 144.115 2.74 0 6 No Yes ACID


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
4.78 - 2.74 .15 0 10 1 0.58

Compound Cross References

ChemSpider ChemSpider:WWZKQHOCKIZLMA-UHFFFAOYSA-N
PubChem SID: 17388833 SID: 17389655 SID: 85272331
Wikipedia Caprylic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL324846



DrugBank DB04519
PDBe OCA
KEGG Ligand C06423
ChEBI 28837
eMolecules 488981
IBM Patent System 5BB8A78EB5AD57EA4CF5A4BAD60802AF DD89E51904C492C13B4CFC56CBF2759E
FDA SRS OBL58JN025
Human Metabolome Database HMDB00482
PubChem: Thomson Pharma 14747813
PubChem 379
Mcule MCULE-5193957469

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