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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL276609
CHEMBL276609
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H16Cl2O3

Additional synonyms for CHEMBL276609 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)C1(CCCc2ccc(Cl)c(Cl)c2)CO1
Standard InChI InChI=1S/C14H16Cl2O3/c1-2-18-13(17)14(9-19-14)7-3-4-10-5-6-1 ...
Download InChI
Standard InChI Key OISOUGSAXDHZEA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL276609

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
303.2 302.0476 3.65 6 38.83 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.8 3.8 1 19 0.59

Structural Alerts

There are 11 structural alerts for CHEMBL276609. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OISOUGSAXDHZEA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL276609



ACToR 78573-87-2
IBM Patent System 85BF02BA9DF59A636CB65CAA726C914A
Nikkaji J75.671G
PubChem 54223
SureChEMBL SCHEMBL11267381

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