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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1347516
CHEMBL1347516
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C7H5Cl3

Additional synonyms for CHEMBL1347516 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC(Cl)(Cl)c1ccccc1
Standard InChI InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
Standard InChI Key XEMRAKSQROQPBR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1347516

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
195.5 193.9457 3.51 0 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.23 3.23 1 10 0.56

Structural Alerts

There are 3 structural alerts for CHEMBL1347516. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XEMRAKSQROQPBR-UHFFFAOYSA-N
PubChem SID: 144208488 SID: 144210501 SID: 17389157 SID: 17390017 SID: 49816814

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1347516



ACToR 98-07-7 26601-65-0 30583-33-6 61878-57-7
ChEBI 82274
ChemicalBook CB6339243
eMolecules 480217
EPA CompTox Dashboard DTXSID1020148
FDA SRS U62VHG99AM
IBM Patent System 1E114868367EA00A3E0C5A2A610942E8
KEGG Ligand C19166
Mcule MCULE-7029967845
Nikkaji J3.982I
NMRShiftDB 74924
PubChem 7367
PubChem: Thomson Pharma 14797404
SureChEMBL SCHEMBL522316
ZINC ZINC000001653138

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