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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL24563
CHEMBL24563
Compound Name NONANOL
ChEMBL Synonyms 1-Nonanol | Nonan-1-ol
Max Phase 0
Trade Names
Molecular Formula C9H20O

Additional synonyms for CHEMBL24563 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCO
Standard InChI InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3
Standard InChI Key ZWRUINPWMLAQRD-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL24563

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
144.3 144.1514 3.25 7 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
- - 3.39 3.39 0 10 0.54

Structural Alerts

There are 7 structural alerts for CHEMBL24563. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZWRUINPWMLAQRD-UHFFFAOYSA-N
PubChem SID: 144211186
Wikipedia 1-Nonanol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL24563



ACToR 28473-21-4 85566-14-9 143-08-8
Brenda 20435 32340 4638 169621
ChEBI 35986
DrugBank DB03143
eMolecules 480561
EPA CompTox Dashboard DTXSID6022008
FDA SRS NGK73Q6XMC
Human Metabolome Database HMDB0031265
IBM Patent System D4C7B9C4D7F15709C8AFF43418B8FDE9
KEGG Ligand C14696
LipidMaps LMFA05000092
Mcule MCULE-4020281400
Metabolights MTBLC35986
MolPort MolPort-001-783-730
Nikkaji J2.549F
NMRShiftDB 10008654
PDBe F09
PubChem 8914
PubChem: Thomson Pharma 15321542
SureChEMBL SCHEMBL19807
ZINC ZINC000001686993

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