ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL346918
CHEMBL346918
Compound Name
ChEMBL Synonyms Bromo-Chloro-Methane
Max Phase 0
Trade Names
Molecular Formula CH2BrCl

Additional synonyms for CHEMBL346918 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClCBr
Standard InChI InChI=1S/CH2BrCl/c2-1-3/h1H2
Standard InChI Key JPOXNPPZZKNXOV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL346918

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
129.4 127.9028 1.28 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
- - 1.55 1.55 0 3 0.43

Structural Alerts

There are 8 structural alerts for CHEMBL346918. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JPOXNPPZZKNXOV-UHFFFAOYSA-N
PubChem SID: 144207988 SID: 17389674
Wikipedia Bromochloromethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL346918



ACToR 13590-47-1 74-97-5
Brenda 43883 9367
ChEBI 17194
eMolecules 480966
EPA CompTox Dashboard DTXSID4021503
FDA SRS 45WX84110G
KEGG Ligand C02661
Mcule MCULE-5030719866
MolPort MolPort-001-768-898
Nikkaji J2.384A
NMRShiftDB 10930
PubChem 6333
PubChem: Thomson Pharma 15170661
Rhea 17194
SureChEMBL SCHEMBL49877

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