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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL157093
CHEMBL157093
Compound Name
ChEMBL Synonyms Dibromo-Chloro-Methane
Max Phase 0
Trade Names
Molecular Formula CHBr2Cl

Additional synonyms for CHEMBL157093 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC(Br)Br
Standard InChI InChI=1S/CHBr2Cl/c2-1(3)4/h1H
Standard InChI Key GATVIKZLVQHOMN-UHFFFAOYSA-N

Structural Alerts

There are 7 structural alerts for CHEMBL157093. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL157093

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
208.3 205.8134 2.02 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
- - 2.21 2.21 0 4 0.53

Compound Cross References

ChemSpider ChemSpider:GATVIKZLVQHOMN-UHFFFAOYSA-N
PubChem SID: 144207351 SID: 17389971
Wikipedia Dibromochloromethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL157093



ACToR 124-48-1
ChEBI 34627
eMolecules 488290
EPA CompTox Dashboard DTXSID1020300
FDA SRS 3T4AJR1H24
Human Metabolome Database HMDB59903
IBM Patent System 9E3B4C31C31892026E1EE5B3D5358AF2
KEGG Ligand C14692
MolPort MolPort-000-152-802
Nikkaji J2.506B
NMRShiftDB 30101295
PubChem 31296
PubChem: Thomson Pharma 16107023
SureChEMBL SCHEMBL76438

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