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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL366050
CHEMBL366050
Compound Name FORMIC ACID PHENYL ESTER
ChEMBL Synonyms Formic Acid Phenyl Ester
Max Phase 0
Trade Names
Molecular Formula C7H6O2

Additional synonyms for CHEMBL366050 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=COc1ccccc1
Standard InChI InChI=1S/C7H6O2/c8-6-9-7-4-2-1-3-5-7/h1-6H
Standard InChI Key GEOWCLRLLWTHDN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL366050

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
122.1 122.0368 1.22 2 26.3 -


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
- - 1.26 1.26 1 9 0.55

Structural Alerts

There are 5 structural alerts for CHEMBL366050. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GEOWCLRLLWTHDN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL366050



ACToR 1864-94-4 84962-64-1
BindingDB 50152732
Brenda 12824
eMolecules 476353
EPA CompTox Dashboard DTXSID30171898
IBM Patent System 87DAB5714C7A08E87FADB1386CD9B1A4
Nikkaji J80.332D
PubChem 74626
PubChem: Thomson Pharma 16068441
SureChEMBL SCHEMBL2662
ZINC ZINC000008294965

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