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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL240332
CHEMBL240332
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H12ClNO2

Additional synonyms for CHEMBL240332 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(Cl)cc1\C=C\c2ccc3cccc(O)c3n2
Standard InChI InChI=1S/C17H12ClNO2/c18-13-6-9-15(20)12(10-13)5-8-14-7-4-11 ...
Download InChI
Standard InChI Key SOUQJSULOJWRAI-VMPITWQZSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL240332

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
297.7 297.0557 4.47 2 53.35 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.23 9.95 4.4 3.91 3 21 0.73

Structural Alerts

There are 2 structural alerts for CHEMBL240332. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SOUQJSULOJWRAI-VMPITWQZSA-N
PubChem SID: 24793403

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL240332



eMolecules 25923331
MolPort MolPort-002-213-558
ZINC ZINC000004755245

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