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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL32010
CHEMBL32010
Compound Name CYCLOHEXANOL
ChEMBL Synonyms Cyclohexanol
Max Phase 0
Trade Names
Molecular Formula C6H12O

Additional synonyms for CHEMBL32010 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1CCCCC1
Standard InChI InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
Standard InChI Key HPXRVTGHNJAIIH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL32010

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
100.2 100.0888 1.5 0 20.23 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.28 1.28 0 7 0.49

Structural Alerts

There are no structural alerts for CHEMBL32010

Compound Cross References

ChemSpider ChemSpider:HPXRVTGHNJAIIH-UHFFFAOYSA-N
PubChem SID: 144208679 SID: 144213120 SID: 49816808
Wikipedia Cyclohexanol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL32010



ACToR 108-93-0
Brenda 108812 873 104529
ChEBI 18099
DrugBank DB03703
eMolecules 478031
EPA CompTox Dashboard DTXSID4021894
FDA SRS 8E7S519M3P
IBM Patent System DB4B88AFB847A1326F0CCDD3FC2F7410
KEGG Ligand C00854
Mcule MCULE-8217921343
MolPort MolPort-001-783-729
Nikkaji J2.871A
PDBe CXL
PubChem 7966
PubChem: Thomson Pharma 15140941
Rhea 18099
SureChEMBL SCHEMBL5545
ZINC ZINC000001532765

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