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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1275704
CHEMBL1275704
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H11ClO3

Additional synonyms for CHEMBL1275704 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(c1)c2cc(Cl)c(O)c(c2)C(=O)O
Standard InChI InChI=1S/C14H11ClO3/c1-8-3-2-4-9(5-8)10-6-11(14(17)18)13(16) ...
Download InChI
Standard InChI Key YRZOZCHXXHFHNT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1275704

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
262.7 262.0397 3.72 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
2.47 - 5.18 2.03 2 18 0.87

Structural Alerts

There are no structural alerts for CHEMBL1275704

Compound Cross References

ChemSpider ChemSpider:YRZOZCHXXHFHNT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1275704



BindingDB 50330428
Brenda 82630
PubChem 49843991
PubChem: Thomson Pharma 104171970
ZINC ZINC000064437146

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