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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2356732
CHEMBL2356732
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H8Cl6O

Additional synonyms for CHEMBL2356732 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@@H]4C[C@@H]([C@H]5O[C@@H]45)[C@ ...
Download SMILES
Standard InChI InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)1 ...
Download InChI
Standard InChI Key DFBKLUNHFCTMDC-GKRDHZSOSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL2356732

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
380.9 377.8706 4.48 0 12.53 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.48 4.48 0 19 0.34

Structural Alerts

There are 16 structural alerts for CHEMBL2356732. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DFBKLUNHFCTMDC-GKRDHZSOSA-N
PubChem SID: 144204671 SID: 144210930

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2356732



ACToR 72-20-8
eMolecules 28206281
EPA CompTox Dashboard DTXSID6020561
FDA SRS OB9NVE7YCL
PubChem 12358480
ZINC ZINC000002510779

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