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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL444525
CHEMBL444525
Compound Name UNDECANOL
ChEMBL Synonyms Undecanol | 1-Undecanol | Undecan-1-ol
Max Phase 0
Trade Names
Molecular Formula C11H24O

Additional synonyms for CHEMBL444525 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCO
Standard InChI InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
Standard InChI Key KJIOQYGWTQBHNH-UHFFFAOYSA-N

Structural Alerts

There are 9 structural alerts for CHEMBL444525. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL444525

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
172.3 172.1827 4.16 9 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
- - 4.41 4.41 0 12 0.52

Compound Cross References

ChemSpider ChemSpider:KJIOQYGWTQBHNH-UHFFFAOYSA-N
PubChem SID: 144208783 SID: 144210866 SID: 26757441
Wikipedia Undecanol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL444525



ACToR 143819-62-9 112-42-5
ChEBI 87499
eMolecules 533096
FDA SRS 06MJ0P28T3
Human Metabolome Database HMDB13113
IBM Patent System F1DE0F9B905A934369CF5B8638347AE5
Mcule MCULE-9897986150
MolPort MolPort-001-788-271
Nikkaji J5.126H
PubChem 8184
PubChem: Thomson Pharma 14794040
SureChEMBL SCHEMBL20655

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