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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL153062
CHEMBL153062
Compound Name 4-NONYLPHENOL
ChEMBL Synonyms Nonylphenol | 4-Nonylphenol | 4-Nonyl-Phenol
Max Phase 0
Trade Names
Molecular Formula C15H24O

Additional synonyms for CHEMBL153062 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCc1ccc(O)cc1
Standard InChI InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/ ...
Download InChI
Standard InChI Key IGFHQQFPSIBGKE-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL153062

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
220.4 220.1827 5.72 8 20.23 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 1 1 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.15 - 6.14 6.14 1 16 0.56

Structural Alerts

There are 7 structural alerts for CHEMBL153062. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IGFHQQFPSIBGKE-UHFFFAOYSA-N
PubChem SID: 144208439 SID: 144213950 SID: 17388809 SID: 26747282 SID: 26752844
Wikipedia 1-Nonyl-4-phenol Nonylphenol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL153062



ACToR 25154-52-3 68081-86-7 104-40-5
BindingDB 50410532
Brenda 136554 33319 24461 155605 7529
ChEBI 34440
eMolecules 495169
EPA CompTox Dashboard DTXSID5033836
Human Metabolome Database HMDB0038982
IBM Patent System 7B0DBB4F931E1EFF89FD9FB91C626CEB
KEGG Ligand C14550
LINCS LSM-19987
LipidMaps LMPK15010001
Mcule MCULE-5930378829
MolPort MolPort-001-792-012
Nikkaji J45.974G
PubChem 1752
PubChem: Thomson Pharma 15220440
SureChEMBL SCHEMBL15887
ZINC ZINC000001850497

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