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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL117545
CHEMBL117545
Compound Name CHLOROMETHANE
ChEMBL Synonyms Chloromethane
Max Phase 0
Trade Names
Molecular Formula CH3Cl

Additional synonyms for CHEMBL117545 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCl
Standard InChI InChI=1S/CH3Cl/c1-2/h1H3
Standard InChI Key NEHMKBQYUWJMIP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL117545

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
50.5 49.9923 0.85 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
- - 1.11 1.11 0 2 0.36

Structural Alerts

There are 2 structural alerts for CHEMBL117545. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NEHMKBQYUWJMIP-UHFFFAOYSA-N
Wikipedia Chloromethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL117545



ACToR 2108-20-5 74-87-3
Brenda 52817 9126 154160 105663
ChEBI 36014
eMolecules 495569
EPA CompTox Dashboard DTXSID0021541
FDA SRS A6R43525YO
KEGG Ligand C19446
Mcule MCULE-5688128737
Metabolights MTBLC36014
MolPort MolPort-001-759-971
Nikkaji J1.430C J298.854B J1.245.456B
NMRShiftDB 20028917
PDBe 0QE
PubChem 6327
PubChem: Thomson Pharma 14747279
SureChEMBL SCHEMBL958

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