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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL24722
CHEMBL24722
Compound Name DODECANOL
ChEMBL Synonyms Dodecan-1-ol | 1-Dodecanol
Max Phase 0
Trade Names
Molecular Formula C12H26O

Additional synonyms for CHEMBL24722 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCO
Standard InChI InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2, ...
Download InChI
Standard InChI Key LQZZUXJYWNFBMV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL24722

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
186.3 186.1984 4.62 10 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
- - 4.91 4.91 0 13 0.49

Structural Alerts

There are 9 structural alerts for CHEMBL24722. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LQZZUXJYWNFBMV-UHFFFAOYSA-N
PubChem SID: 144209322 SID: 144210440
Wikipedia Dodecanol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL24722



ACToR 112-53-8 27342-88-7 63393-82-8
Brenda 106464 3632 49014 5887 21642
ChEBI 28878
DrugBank DB06894
eMolecules 480010
EPA CompTox Dashboard DTXSID5026918
FDA SRS 178A96NLP2
Human Metabolome Database HMDB0011626
IBM Patent System 4B5F6396C1E9145F1AB7C196ED9D9184
KEGG Ligand C02277
LipidMaps LMFA05000001
Mcule MCULE-9381688904
Metabolights MTBLC28878
MolPort MolPort-001-779-974
Nikkaji J1.505I
PDBe 1DO
PubChem 8193
PubChem: Thomson Pharma 15219776
Rhea 28878
SureChEMBL SCHEMBL6844
ZINC ZINC000001529403

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