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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL136354
CHEMBL136354
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H14F3NO2

Additional synonyms for CHEMBL136354 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(c(OC)cc1CCN)C(F)(F)F
Standard InChI InChI=1S/C11H14F3NO2/c1-16-9-6-8(11(12,13)14)10(17-2)5-7(9)3 ...
Download InChI
Standard InChI Key LYXGNMLWYONZID-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL136354

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
249.2 249.0977 2.17 5 44.48 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.42 2.23 .24 1 17 0.87

Structural Alerts

There are no structural alerts for CHEMBL136354

Compound Cross References

ChemSpider ChemSpider:LYXGNMLWYONZID-UHFFFAOYSA-N
Wikipedia 2C-TFM

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL136354



BindingDB 50038369
EPA CompTox Dashboard DTXSID70439308
FDA SRS 16O4G6IKYL
Nikkaji J627.877I
PubChem 10399795
PubChem: Thomson Pharma 15416345
SureChEMBL SCHEMBL14655561
ZINC ZINC000013739909

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