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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL189886
CHEMBL189886
Compound Name BENZIL
ChEMBL Synonyms Benzil(Diphenylethane-1,2-Dione) | Benzil
Max Phase 0
Trade Names
Molecular Formula C14H10O2

Additional synonyms for CHEMBL189886 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(C(=O)c1ccccc1)c2ccccc2
Standard InChI InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10 ...
Download InChI
Standard InChI Key WURBFLDFSFBTLW-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL189886

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
210.2 210.0681 3.12 3 34.14 -


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
- - 3.38 3.38 2 16 0.58

Structural Alerts

There are 7 structural alerts for CHEMBL189886. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WURBFLDFSFBTLW-UHFFFAOYSA-N
PubChem SID: 144212348
Wikipedia Benzil

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL189886



ACToR 134-81-6
BindingDB 22722
Brenda 1673 79775
ChEBI 51507
eMolecules 479528
EPA CompTox Dashboard DTXSID3044380
FDA SRS S85X61172J
IBM Patent System 3B3CAB52590F17F4F38D544BB4C0841F
Mcule MCULE-1752553253
MolPort MolPort-000-657-276
Nikkaji J5.599I
NMRShiftDB 10005895
PubChem 8651
PubChem: Thomson Pharma 15463558
Rhea 51507
SureChEMBL SCHEMBL66
ZINC ZINC000001672966

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