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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL17564
CHEMBL17564
Compound Name METHANE
ChEMBL Synonyms Methane
Max Phase 0
Trade Names
Molecular Formula CH4

Additional synonyms for CHEMBL17564 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C
Standard InChI InChI=1S/CH4/h1H4
Standard InChI Key VNWKTOKETHGBQD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL17564

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
16 16.0313 1.38 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
- - 1.09 1.09 0 1 0.37

Structural Alerts

There are no structural alerts for CHEMBL17564

Compound Cross References

ChemSpider ChemSpider:VNWKTOKETHGBQD-UHFFFAOYSA-N
Wikipedia Methane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL17564



ACToR 7440-44-0 2465-56-7 115344-49-5 114680-00-1 101239-80-9 16291-96-6 131452-56-7 74-82-8 137906-62-8
Atlas carbon
Brenda 192675 8062 2028 19239 147858
ChEBI 16183
eMolecules 6200341 475069
EPA CompTox Dashboard DTXSID8025545
FDA SRS OP0UW79H66
Human Metabolome Database HMDB0002714
KEGG Ligand C01438
Mcule MCULE-1431015236
Metabolights MTBLC16183
MolPort MolPort-018-618-244
Nikkaji J2.380I J3.470.363I J68.119I J593B
NMRShiftDB 20029286
PDBe 74C
PubChem 297
PubChem: Thomson Pharma 14867102 15146225
Rhea 16183
SureChEMBL SCHEMBL778

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