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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL90039
CHEMBL90039
Compound Name BENZOPHENONE
ChEMBL Synonyms Benzophenone
Max Phase 0
Trade Names
Molecular Formula C13H10O

Additional synonyms for CHEMBL90039 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(c1ccccc1)c2ccccc2
Standard InChI InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1- ...
Download InChI
Standard InChI Key RWCCWEUUXYIKHB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL90039

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
182.2 182.0732 3.23 2 17.07 -


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
- - 3.21 3.21 2 14 0.65

Structural Alerts

There are 1 structural alerts for CHEMBL90039. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RWCCWEUUXYIKHB-UHFFFAOYSA-N
PubChem SID: 144207014 SID: 144209623 SID: 144210378 SID: 170465649 SID: 17389587 SID: 26752803 SID: 49816673
Wikipedia Benzophenone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL90039



ACToR 119-61-9
BindingDB 22726
Brenda 7654
ChEBI 41308
DrugBank DB01878
eMolecules 480157
EPA CompTox Dashboard DTXSID0021961
FDA SRS 701M4TTV9O
Human Metabolome Database HMDB0032049
IBM Patent System EBDC6C2F464EF4E36616C6FBBED18AD9 5D3A0D6716E21BB044876EE5E1F0B909
KEGG Ligand C06354
Mcule MCULE-7496069620
Metabolights MTBLC41308
MolPort MolPort-000-872-026
Nikkaji J2.481C
NMRShiftDB 10005796
PDBe BZQ
PubChem 3102
PubChem: Thomson Pharma 15147353
SureChEMBL SCHEMBL17745
ZINC ZINC000000968233

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