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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1743219
CHEMBL1743219
Compound Name OXIRANE
ChEMBL Synonyms Ethylene Oxide
Max Phase 0
Trade Names
Molecular Formula C2H4O

Additional synonyms for CHEMBL1743219 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CO1
Standard InChI InChI=1S/C2H4O/c1-2-3-1/h1-2H2
Standard InChI Key IAYPIBMASNFSPL-UHFFFAOYSA-N

Sources

  • Gene Expression Atlas Compounds
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1743219

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
44.1 44.0262 0.02 0 12.53 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.58 -.58 0 3 0.35

Structural Alerts

There are 8 structural alerts for CHEMBL1743219. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IAYPIBMASNFSPL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1743219



ACToR 142175-32-4 75-21-8 9072-62-2
Atlas Ethylene Oxide
Brenda 37341 20260
ChEBI 27561
ChemicalBook CB2709651
eMolecules 475739
EPA CompTox Dashboard DTXSID0020600
FDA SRS JJH7GNN18P
KEGG Ligand C06548
Metabolights MTBLC27561
MolPort MolPort-001-782-824
Nikkaji J1.942I
NMRShiftDB 10016036
PubChem 6354
PubChem: Thomson Pharma 15194109
SureChEMBL SCHEMBL3587

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