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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1275703
CHEMBL1275703
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H9ClO3

Additional synonyms for CHEMBL1275703 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1cc(cc(Cl)c1O)c2ccccc2
Standard InChI InChI=1S/C13H9ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13 ...
Download InChI
Standard InChI Key RJMZIUFNDNYWDU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1275703

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
248.7 248.024 3.41 2 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
2.46 - 4.64 1.49 2 17 0.86

Structural Alerts

There are no structural alerts for CHEMBL1275703

Compound Cross References

ChemSpider ChemSpider:RJMZIUFNDNYWDU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1275703



BindingDB 50330427
Brenda 82629 8905
IBM Patent System A064EFD9506899610F90A319E1EF9721
Mcule MCULE-6755445820
MolPort MolPort-005-271-991
PDBe 5P3
PubChem 20521547
PubChem: Thomson Pharma 104171969
SureChEMBL SCHEMBL11228183
ZINC ZINC000020593727

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