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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL25363
CHEMBL25363
Compound Name DECANOL
ChEMBL Synonyms 1-Decanol
Max Phase 0
Trade Names
Molecular Formula C10H22O

Additional synonyms for CHEMBL25363 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCO
Standard InChI InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
Standard InChI Key MWKFXSUHUHTGQN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL25363

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
158.3 158.1671 3.12 8 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
- - 3.9 3.9 0 11 0.54

Structural Alerts

There are 9 structural alerts for CHEMBL25363. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MWKFXSUHUHTGQN-UHFFFAOYSA-N
PubChem SID: 144209384 SID: 144210398 SID: 26757160 SID: 26757161
Wikipedia 1-Decanol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL25363



ACToR 85566-12-7 321901-80-8 118374-94-0 112-30-1 66455-17-2 67762-41-8
Brenda 9228 32196 3461 3959
ChEBI 28903
eMolecules 482707
EPA CompTox Dashboard DTXSID7021946
FDA SRS 89V4LX791F
Human Metabolome Database HMDB0011624
IBM Patent System C247B38E2206BDE9981C23DA0F820A3B
KEGG Ligand C01633
LipidMaps LMFA05000062
Mcule MCULE-7579570663
Metabolights MTBLC28903
MolPort MolPort-001-792-070
Nikkaji J2.887H
NMRShiftDB 10008918
PDBe DE1
PubChem 8174
PubChem: Thomson Pharma 14793924
Rhea 28903
SureChEMBL SCHEMBL21645
ZINC ZINC000001529247

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