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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL363614
CHEMBL363614
Compound Name BENZOFURAN
ChEMBL Synonyms Benzofuran
Max Phase 0
Trade Names
Molecular Formula C8H6O

Additional synonyms for CHEMBL363614 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES o1ccc2ccccc12
Standard InChI InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
Standard InChI Key IANQTJSKSUMEQM-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL363614

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
118.1 118.0419 2.13 0 13.14 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.69 2.69 2 9 0.5

Structural Alerts

There are no structural alerts for CHEMBL363614

Compound Cross References

ChemSpider ChemSpider:IANQTJSKSUMEQM-UHFFFAOYSA-N
PubChem SID: 144214015 SID: 17390023 SID: 26752901 SID: 26752902 SID: 85272551
Wikipedia Benzofuran

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL363614



ACToR 271-89-6
Atlas 2,3-benzofuran
BindingDB 50167940
ChEBI 35260
DrugBank DB04179
eMolecules 494194
EPA CompTox Dashboard DTXSID6020141
FDA SRS LK6946W774
Human Metabolome Database HMDB32929
IBM Patent System 2C47F30255971912B18680848E0A2172
KEGG Ligand C14512
LINCS LSM-36964
Mcule MCULE-3934334695
MolPort MolPort-000-145-910
Nikkaji J5.447J
NMRShiftDB 10017589
PDBe BZF
PubChem 9223
PubChem: Thomson Pharma 14867218
SureChEMBL SCHEMBL5564
ZINC ZINC01591814

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