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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15980
CHEMBL15980
Compound Name CYCLOHEXANE
ChEMBL Synonyms Cyclohexane
Max Phase 0
Trade Names
Molecular Formula C6H12

Additional synonyms for CHEMBL15980 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CCCCC1
Standard InChI InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
Standard InChI Key XDTMQSROBMDMFD-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15980

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
84.2 84.0939 2.74 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
- - 3.16 3.16 0 6 0.42

Structural Alerts

There are no structural alerts for CHEMBL15980

Compound Cross References

ChemSpider ChemSpider:XDTMQSROBMDMFD-UHFFFAOYSA-N
PubChem SID: 144208285
Wikipedia Cyclohexane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15980



ACToR 68411-76-7 110-82-7 25012-93-5
Brenda 3995
ChEBI 29005
eMolecules 483268
EPA CompTox Dashboard DTXSID4021923
FDA SRS 48K5MKG32S
Human Metabolome Database HMDB29597
IBM Patent System 1A7ACB3480D49160CAE8765ADCF2564B
KEGG Ligand C11249
Mcule MCULE-3136361765
MolPort MolPort-001-785-799
Nikkaji J2.882G
NMRShiftDB 10811
PDBe CHX
PubChem 8078
PubChem: Thomson Pharma 14747348
SureChEMBL SCHEMBL476
ZINC ZINC000001532203

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