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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

Structural Alerts

There are no structural alerts for CHEMBL32010

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

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
ChEBI 18099
DrugBank DB03703
eMolecules 478031
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
SureChEMBL SCHEMBL5545
ZINC ZINC01532765

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