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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL346267
CHEMBL346267
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H13ClO4

Additional synonyms for CHEMBL346267 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CCC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Standard InChI InChI=1S/C16H13ClO4/c17-12-3-7-14(8-4-12)21-13-5-1-11(2-6-13 ...
Download InChI
Standard InChI Key RBSRTJKBLCCGPO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL346267

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
304.7 304.0502 3.64 6 63.6 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.53 - 3.63 .81 2 21 0.83

Structural Alerts

There are 1 structural alerts for CHEMBL346267. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RBSRTJKBLCCGPO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL346267



ACToR 57148-29-5
BindingDB 50049241
EPA CompTox Dashboard DTXSID80205778
IBM Patent System 1A6C196616211E03FBEBF115E44FF88F
Nikkaji J727.956F
PubChem 96245
SureChEMBL SCHEMBL10865120
ZINC ZINC000001690880

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