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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 0.64 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 0.36

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 2465-56-7 7440-44-0 114680-00-1 115344-49-5 101239-80-9 16291-96-6 131452-56-7 74-82-8 137906-62-8
Atlas carbon
Brenda 8062 2028 219814
ChEBI 16183
ChemicalBook CB9767902 CB3109508 CB9374483
eMolecules 6200341 475069
EPA CompTox Dashboard DTXSID8025545
FDA SRS OP0UW79H66 2P3VWU3H10 4XYU5U00C4
Human Metabolome Database HMDB0002714
KEGG Ligand C01438
Mcule MCULE-1431015236
Metabolights MTBLC16183
MolPort MolPort-018-618-244
Nikkaji J2.380I J3.470.363I J593B J68.119I
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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