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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1967678
CHEMBL1967678
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H15F6NO2

Additional synonyms for CHEMBL1967678 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(CC(=O)CN1CCCCC1)(C(F)(F)F)C(F)(F)F
Standard InChI InChI=1S/C11H15F6NO2/c12-10(13,14)9(20,11(15,16)17)6-8(19)7- ...
Download InChI
Standard InChI Key LQVHDUSBAFJEQI-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1967678

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
307.2 307.1007 2.29 4 40.54 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.9 7 3.36 3.21 0 20 0.81

Structural Alerts

There are 3 structural alerts for CHEMBL1967678. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LQVHDUSBAFJEQI-UHFFFAOYSA-N
PubChem SID: 510690

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1967678



PubChem 379617
ZINC ZINC000001639256

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