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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL117822
CHEMBL117822
Compound Name ETHYLENE
ChEMBL Synonyms Ethylene
Max Phase 3
Trade Names
Molecular Formula C2H4

Additional synonyms for CHEMBL117822 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C=C
Standard InChI InChI=1S/C2H4/c1-2/h1-2H2
Standard InChI Key VGGSQFUCUMXWEO-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL117822

Molecule Features

CHEMBL117822 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 Data

ClinicalTrials.gov ETHYLENE
The Cochrane Collaboration ETHYLENE

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
28.1 28.0313 0.95 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
- - 1.32 1.32 0 2 0.35

Structural Alerts

There are 2 structural alerts for CHEMBL117822. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VGGSQFUCUMXWEO-UHFFFAOYSA-N
Wikipedia Ethylene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL117822



ACToR 74-85-1 33060-30-9 9002-88-4 68037-39-8 1517-53-9
Atlas ethylene
Brenda 1867 20261 107583
ChEBI 18153
eMolecules 474236
EPA CompTox Dashboard DTXSID1026378
FDA SRS 91GW059KN7
Human Metabolome Database HMDB29594
IBM Patent System 0DD60326B7D019A593F9F22E8E30812C
KEGG Ligand C06547 C19503
Mcule MCULE-9947181734
MolPort MolPort-001-760-368
Nikkaji J1.671.339B J1.939I
PubChem 6325
PubChem: Thomson Pharma 15218571
SureChEMBL SCHEMBL1770

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