ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL346231
CHEMBL346231
Compound Name BROMODICHLOROMETHANE
ChEMBL Synonyms Bromodichloromethane | Bromo-Dichloro-Methane
Max Phase 0
Trade Names
Molecular Formula CHBrCl2

Additional synonyms for CHEMBL346231 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC(Cl)Br
Standard InChI InChI=1S/CHBrCl2/c2-1(3)4/h1H
Standard InChI Key FMWLUWPQPKEARP-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL346231

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
163.8 161.8639 2.14 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
- - 2.04 2.04 0 4 0.48

Structural Alerts

There are 7 structural alerts for CHEMBL346231. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FMWLUWPQPKEARP-UHFFFAOYSA-N
PubChem SID: 144208004
Wikipedia Bromodichloromethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL346231



ACToR 75-27-4
ChEBI 34591
eMolecules 481410
EPA CompTox Dashboard DTXSID1020198
FDA SRS 7LN464CH2O
Human Metabolome Database HMDB0061732
IBM Patent System BB5850F85BF7CB4118D82AE84C03ACEF
KEGG Ligand C14708
MolPort MolPort-003-926-388
Nikkaji J1.448F
NMRShiftDB 10011078
PubChem 6359
PubChem: Thomson Pharma 113916949
SureChEMBL SCHEMBL75683
ZINC ZINC000008437802

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