ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL277497
CHEMBL277497
Compound Name DIBENZOFURAN
ChEMBL Synonyms Dibenzofuran
Max Phase 0
Trade Names
Molecular Formula C12H8O

Additional synonyms for CHEMBL277497 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES o1c2ccccc2c3ccccc13
Standard InChI InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
Standard InChI Key TXCDCPKCNAJMEE-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL277497

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
168.2 168.0575 3.33 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
- - 4.28 4.28 3 13 0.49

Structural Alerts

There are no structural alerts for CHEMBL277497

Compound Cross References

ChemSpider ChemSpider:TXCDCPKCNAJMEE-UHFFFAOYSA-N
PubChem SID: 144209314 SID: 144210372 SID: 26757519
Wikipedia Dibenzofuran

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL277497



ACToR 132-64-9
BindingDB 50408362
ChEBI 28145
eMolecules 490003
EPA CompTox Dashboard DTXSID2021993
FDA SRS 8U54U639VI
IBM Patent System A9A8F6E54670A29D08E8153A34D08777
KEGG Ligand C07729
Mcule MCULE-9430669072
MolPort MolPort-001-768-876
Nikkaji J2.522D
NMRShiftDB 10008777
PDBe 1IT
PubChem 568
PubChem: Thomson Pharma 15339646
SureChEMBL SCHEMBL8207
ZINC ZINC03861058

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