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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL571655
CHEMBL571655
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H8O

Additional synonyms for CHEMBL571655 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1c2ccccc2c3ccccc13
Standard InChI InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h ...
Download InChI
Standard InChI Key YLQWCDOCJODRMT-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL571655

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
180.2 180.0575 2.92 0 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
- - 3.49 3.49 2 14 0.61

Structural Alerts

There are 1 structural alerts for CHEMBL571655. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YLQWCDOCJODRMT-UHFFFAOYSA-N
PubChem SID: 144210117
Wikipedia Fluorenone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL571655



ACToR 486-25-9
BindingDB 50303915
ChEBI 17922
eMolecules 509887
EPA CompTox Dashboard DTXSID6049307
FDA SRS AZ9T83S2AQ
IBM Patent System D985821AF80D197A95A16C3EF5EAC1A6
KEGG Ligand C06712
Mcule MCULE-3341096841
Metabolights MTBLC17922
MolPort MolPort-000-861-019
Nikkaji J2.596H
NMRShiftDB 10015921
PubChem 10241
PubChem: Thomson Pharma 15315486
SureChEMBL SCHEMBL31884
ZINC ZINC000000968253

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