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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL117135
CHEMBL117135
Compound Name
ChEMBL Synonyms 2,5-Dihydro-Furan
Max Phase 0
Trade Names
Molecular Formula C4H6O

Additional synonyms for CHEMBL117135 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1OCC=C1
Standard InChI InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2
Standard InChI Key ARGCQEVBJHPOGB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL117135

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
70.1 70.0419 0.34 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
- - .34 .34 0 5 0.37

Structural Alerts

There are 1 structural alerts for CHEMBL117135. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ARGCQEVBJHPOGB-UHFFFAOYSA-N
Wikipedia 2,5-Dihydrofuran

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL117135



ACToR 1708-29-8
eMolecules 492166
EPA CompTox Dashboard DTXSID5051785
IBM Patent System 6D503A63151D7E8922E768AD30B54A21
MolPort MolPort-001-768-951
Nikkaji J41.176K
NMRShiftDB 9668
PubChem 15570
PubChem: Thomson Pharma 15119608
SureChEMBL SCHEMBL59324
ZINC ZINC000001690282

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