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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL45967
CHEMBL45967
Compound Name METHYLENE CHLORIDE
ChEMBL Synonyms METHYLENE CHLORIDE
Max Phase 0
Trade Names
Molecular Formula CH2Cl2

Additional synonyms for CHEMBL45967 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClCCl
Standard InChI InChI=1S/CH2Cl2/c2-1-3/h1H2
Standard InChI Key YMWUJEATGCHHMB-UHFFFAOYSA-N

Sources

  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL45967

Molecule Features

CHEMBL45967 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov METHYLENE CHLORIDE
The Cochrane Collaboration METHYLENE CHLORIDE

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
84.9 83.9534 1.42 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
- - 1.41 1.41 0 3 0.39

Structural Alerts

There are 6 structural alerts for CHEMBL45967. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YMWUJEATGCHHMB-UHFFFAOYSA-N
PubChem SID: 144209724 SID: 17389823
Wikipedia Dichloromethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL45967



ACToR 75-09-2 1605-72-7
Atlas Methylene Chloride
Brenda 1377 48897 129995
ChEBI 15767
eMolecules 475165
EPA CompTox Dashboard DTXSID0020868
FDA SRS 588X2YUY0A E73HG1090V
Human Metabolome Database HMDB0031548
IBM Patent System 3EE78A35679BD1A0EFAB262004D0197C
KEGG Ligand C02271
Mcule MCULE-1114735075
MolPort MolPort-001-757-423
Nikkaji J2.389B
NMRShiftDB 10929
PubChem 6344
PubChem: Thomson Pharma 15296918
Rhea 15767
SureChEMBL SCHEMBL18247337 SCHEMBL493

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