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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201751
CHEMBL1201751
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H30O2

Additional synonyms for CHEMBL1201751 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCOCCO
Standard InChI InChI=1S/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h1 ...
Download InChI
Standard InChI Key SFNALCNOMXIBKG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1201751

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
230.4 230.2246 3.92 13 29.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 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 16 0.49

Structural Alerts

There are 9 structural alerts for CHEMBL1201751. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SFNALCNOMXIBKG-UHFFFAOYSA-N
PubChem SID: 144211910 SID: 170466587
Wikipedia Polidocanol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201751



ACToR 37343-87-6 4536-30-5 101008-55-3
Brenda 93950 111183 138821 2491
ChEBI 78770
eMolecules 475698
EPA CompTox Dashboard DTXSID8044676
FDA SRS J89TKQ5R54
IBM Patent System AA46ADEE60AD2A084B23FACC833C11B0
KEGG Ligand C12995
Mcule MCULE-5043607718
Nikkaji J92.963H
PubChem 24750
PubChem: Thomson Pharma 15220678
SureChEMBL SCHEMBL77030
ZINC ZINC000008437287

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