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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1275724
CHEMBL1275724
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H9ClO3

Additional synonyms for CHEMBL1275724 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1cc(cc(Cl)c1O)C#Cc2ccccc2
Standard InChI InChI=1S/C15H9ClO3/c16-13-9-11(8-12(14(13)17)15(18)19)7-6-10 ...
Download InChI
Standard InChI Key PFYMIHYPOALEED-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1275724

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
272.7 272.024 3.14 1 57.53 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.33 - 5.71 2.56 2 19 0.78

Structural Alerts

There are 1 structural alerts for CHEMBL1275724. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PFYMIHYPOALEED-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1275724



BindingDB 50330425
PubChem 52944731
ZINC ZINC000064448545

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