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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1169674
CHEMBL1169674
Compound Name NONADECANOIC ACID
ChEMBL Synonyms Nonadecanoic Acid
Max Phase 0
Trade Names
Molecular Formula C19H38O2

Additional synonyms for CHEMBL1169674 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCCC(=O)O
Standard InChI InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17 ...
Download InChI
Standard InChI Key ISYWECDDZWTKFF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1169674

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
298.5 298.2872 6.72 17 37.3 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.78 - 8.34 5.75 0 21 0.3

Structural Alerts

There are 9 structural alerts for CHEMBL1169674. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ISYWECDDZWTKFF-UHFFFAOYSA-N
Wikipedia Nonadecylic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1169674



ACToR 68002-88-0 646-30-0 12707-74-3
Brenda 123133 109331
ChEBI 39246
ChemicalBook CB8489539
eMolecules 529644
EPA CompTox Dashboard DTXSID3060954
FDA SRS H6M3VYC62P
Human Metabolome Database HMDB0000772
IBM Patent System C415191BFAF65202664E67D2A2A972C2
KEGG Ligand C16535
LipidMaps LMFA01010019
Mcule MCULE-3651545554
Metabolights MTBLC39246
MolPort MolPort-001-780-112
Nikkaji J535E
PDBe EW8
PubChem 12591
PubChem: Thomson Pharma 14800402
SureChEMBL SCHEMBL107777
ZINC ZINC000030731058

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