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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL257490
CHEMBL257490
Compound Name HENTRIACONTANE
ChEMBL Synonyms Hentriacontane | N-Hentriacontane
Max Phase 0
Trade Names
Molecular Formula C31H64

Additional synonyms for CHEMBL257490 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Standard InChI InChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31- ...
Download InChI
Standard InChI Key IUJAMGNYPWYUPM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL257490

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
436.9 436.5008 12.34 28 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 16.5 16.5 0 31 0.11

Structural Alerts

There are 9 structural alerts for CHEMBL257490. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IUJAMGNYPWYUPM-UHFFFAOYSA-N
Wikipedia Hentriacontane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL257490



ACToR 630-04-6
ChEBI 5659
eMolecules 516299
EPA CompTox Dashboard DTXSID0075443
FDA SRS 6SDG640HL3
Human Metabolome Database HMDB0030092
IBM Patent System 991ECA7E9E3EE132DE8A883D4E9B70DF
KEGG Ligand C08376
LipidMaps LMFA11000573
Nikkaji J530D
PubChem 12410
PubChem: Thomson Pharma 15477483
SureChEMBL SCHEMBL147787
ZINC ZINC000008221060

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