ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL155514
CHEMBL155514
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H15F3O2Se

Additional synonyms for CHEMBL155514 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCC[Se](=O)CC(=O)C(F)(F)F
Standard InChI InChI=1S/C9H15F3O2Se/c1-2-3-4-5-6-15(14)7-8(13)9(10,11)12/h2 ...
Download InChI
Standard InChI Key QTOSDEKHSYHUAT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL155514

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
291.2 292.0189 - - - -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL155514

Compound Cross References

ChemSpider ChemSpider:QTOSDEKHSYHUAT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL155514



BindingDB 50409669
PubChem 44367921

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