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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL44215
CHEMBL44215
Compound Name ETHOXYCARBONYL GROUP
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C3H6O2

Additional synonyms for CHEMBL44215 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC=O
Standard InChI InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3
Standard InChI Key WBJINCZRORDGAQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL44215

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
74.1 74.0368 0.18 2 26.3 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .38 .38 0 5 0.44

Structural Alerts

There are 4 structural alerts for CHEMBL44215. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WBJINCZRORDGAQ-UHFFFAOYSA-N
Wikipedia Ethyl_formate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL44215



ACToR 109-94-4
Brenda 48336 100525
ChEBI 52342
ChemicalBook CB3411274
eMolecules 476335
EPA CompTox Dashboard DTXSID6040117
FDA SRS 0K3E2L5553
Human Metabolome Database HMDB0031229
Mcule MCULE-6245072161
Metabolights MTBLC52342
MolPort MolPort-001-766-723
Nikkaji J1.971B
NMRShiftDB 10009156
PubChem 8025
PubChem: Thomson Pharma 15146289
Rhea 52342
SureChEMBL SCHEMBL453
ZINC ZINC000001648253

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