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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 Ethyne | Acetylene
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

Structural Alerts

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

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

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
ChEBI 27518
FDA SRS OC7TV75O83
KEGG Ligand C01548
Mcule MCULE-9422154630
Nikkaji J1.940B J2.550.411I
PubChem 6326
PubChem: Thomson Pharma 15412699
SureChEMBL SCHEMBL428

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