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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL318196
CHEMBL318196
Compound Name ETHYL CINNAMATE
ChEMBL Synonyms Ethyl Cinnamate
Max Phase 0
Trade Names
Molecular Formula C11H12O2

Additional synonyms for CHEMBL318196 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)\C=C\c1ccccc1
Standard InChI InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H ...
Download InChI
Standard InChI Key KBEBGUQPQBELIU-CMDGGOBGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL318196

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
176.2 176.0837 2.5 4 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
- - 2.97 2.97 1 13 0.52

Structural Alerts

There are 7 structural alerts for CHEMBL318196. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KBEBGUQPQBELIU-CMDGGOBGSA-N
Wikipedia Ethyl_cinnamate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL318196



ACToR 103-36-6 4192-77-2
ChEBI 4895
eMolecules 478796
FDA SRS C023P3M5JJ
IBM Patent System 5FC42A7E09B92B71EE18334A77A989DF
KEGG Ligand C06359
MolPort MolPort-009-209-092
Nikkaji J45.977A J2.849E
NMRShiftDB 10025085 10009219
PubChem 637758
PubChem: Thomson Pharma 15219600
SureChEMBL SCHEMBL112445
ZINC ZINC000012358720

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