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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL302365
CHEMBL302365
Compound Name
ChEMBL Synonyms 3-Fluoro-Benzoic Acid | 3-Fluorobenzoic Acid
Max Phase 0
Trade Names
Molecular Formula C7H5FO2

Additional synonyms for CHEMBL302365 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1cccc(F)c1
Standard InChI InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
Standard InChI Key MXNBDFWNYRNIBH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL302365

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
140.1 140.0274 1.52 1 37.3 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.86 - 2.05 -.95 1 10 0.64

Structural Alerts

There are no structural alerts for CHEMBL302365

Compound Cross References

ChemSpider ChemSpider:MXNBDFWNYRNIBH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL302365



ACToR 455-38-9
Brenda 48600 106489
ChEBI 20021
ChemicalBook CB4332624
eMolecules 511643
EPA CompTox Dashboard DTXSID4060020
IBM Patent System 17C33A70C5C718366536A5149FE85AC1
KEGG Ligand C02364
Mcule MCULE-6577870473
MolPort MolPort-000-155-461
Nikkaji J47.806G
NMRShiftDB 10024839
PubChem 9968
PubChem: Thomson Pharma 16877057
SureChEMBL SCHEMBL28396
ZINC ZINC000000157326

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