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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL16070
CHEMBL16070
Compound Name FLUOROBENZENE
ChEMBL Synonyms Fluorobenzene
Max Phase 0
Trade Names
Molecular Formula C6H5F

Additional synonyms for CHEMBL16070 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccccc1
Standard InChI InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H
Standard InChI Key PYLWMHQQBFSUBP-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL16070

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
96.1 96.0375 2.04 0 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.3 2.3 1 7 0.46

Structural Alerts

There are no structural alerts for CHEMBL16070

Compound Cross References

ChemSpider ChemSpider:PYLWMHQQBFSUBP-UHFFFAOYSA-N
PubChem SID: 144208252 SID: 17389000
Wikipedia Fluorobenzene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL16070



ACToR 462-06-6
ChEBI 5115
eMolecules 511680
EPA CompTox Dashboard DTXSID4025329
FDA SRS G3TSZ68K12
IBM Patent System 7DF7D4F1C42424F08DADA43FB41480DC
KEGG Ligand C11272
Mcule MCULE-7689730731
MolPort MolPort-000-155-451
Nikkaji J43.543K
NMRShiftDB 20036226
PubChem 10008
PubChem: Thomson Pharma 15165100
SureChEMBL SCHEMBL12363
ZINC ZINC00967759

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