ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature

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

Structural Alerts

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

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 HMDB0059903
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
ZINC ZINC000008437793

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