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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL276521
CHEMBL276521
Compound Name TETRAHYDROFURAN
ChEMBL Synonyms Tetrahydro-Furan
Max Phase 0
Trade Names
Molecular Formula C4H8O

Additional synonyms for CHEMBL276521 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CCOC1
Standard InChI InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2
Standard InChI Key WYURNTSHIVDZCO-UHFFFAOYSA-N

Sources

  • Curated Drug Metabolism Pathways
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL276521

Metabolites for CHEMBL276521

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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
72.1 72.0575 0.51 0 9.23 -


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
- - .47 .47 0 5 0.41

Structural Alerts

There are no structural alerts for CHEMBL276521

Compound Cross References

ChemSpider ChemSpider:WYURNTSHIVDZCO-UHFFFAOYSA-N
PubChem SID: 17389719
Wikipedia Tetrahydrofuran

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL276521



ACToR 24979-97-3 109-99-9
Brenda 2760
ChEBI 26911
eMolecules 482258
EPA CompTox Dashboard DTXSID1021328
FDA SRS 3N8FZZ6PY4
Human Metabolome Database HMDB0000246
Mcule MCULE-3873245085
MolPort MolPort-000-871-942
Nikkaji J2.878I
NMRShiftDB 10016046
PDBe FU1
PubChem 8028
PubChem: Thomson Pharma 15119614
SureChEMBL SCHEMBL479
ZINC ZINC000003593622

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