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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL116336
CHEMBL116336
Compound Name ETHYNE
ChEMBL Synonyms Acetylene | Ethyne
Max Phase 0
Trade Names
Molecular Formula C2H2

Additional synonyms for CHEMBL116336 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C#C
Standard InChI InChI=1S/C2H2/c1-2/h1-2H
Standard InChI Key HSFWRNGVRCDJHI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL116336

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
26 26.0157 1.98 0 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .37 .37 0 2 0.36

Structural Alerts

There are 1 structural alerts for CHEMBL116336. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HSFWRNGVRCDJHI-UHFFFAOYSA-N
Wikipedia Acetylene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL116336



ACToR 74-86-2 57113-74-3 25067-58-7
Brenda 4794 2013 93373
ChEBI 27518
EPA CompTox Dashboard DTXSID6026379
FDA SRS OC7TV75O83
KEGG Ligand C01548
Mcule MCULE-9422154630
Nikkaji J1.887.179C J1.940B J2.550.411I
PubChem 6326
PubChem: Thomson Pharma 15412699
Rhea 27518
SureChEMBL SCHEMBL428

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