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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL150648
CHEMBL150648
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H15F3O

Additional synonyms for CHEMBL150648 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCC\C=C\C(=O)C(F)(F)F
Standard InChI InChI=1S/C10H15F3O/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h7-8H,2 ...
Download InChI
Standard InChI Key GBZCFQFQXMJNSG-BQYQJAHWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL150648

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
208.2 208.1075 3.64 6 17.07 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.01 4.01 0 14 0.48

Structural Alerts

There are 13 structural alerts for CHEMBL150648. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GBZCFQFQXMJNSG-BQYQJAHWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL150648



Nikkaji J580.727A
PubChem 10398136
PubChem: Thomson Pharma 15414413
SureChEMBL SCHEMBL9358406

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