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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL454511
CHEMBL454511
Compound Name TRIPHENYL PHOSPHATE
ChEMBL Synonyms Triphenyl Phosphate
Max Phase 0
Trade Names
Molecular Formula C18H15O4P

Additional synonyms for CHEMBL454511 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3
Standard InChI InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2- ...
Download InChI
Standard InChI Key XZZNDPSIHUTMOC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL454511

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
326.3 326.0708 5.33 6 44.76 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 1 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.59 4.59 3 23 0.57

Structural Alerts

There are 3 structural alerts for CHEMBL454511. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XZZNDPSIHUTMOC-UHFFFAOYSA-N
PubChem SID: 144208709 SID: 144210822 SID: 26757450
Wikipedia Triphenyl_phosphate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL454511



ACToR 115-86-6
Brenda 103700
ChEBI 35033
ChemicalBook CB9233809
eMolecules 478025
EPA CompTox Dashboard DTXSID1021952
FDA SRS YZE19Z66EA
IBM Patent System 411BDBA010ADB7433883B4FDAA7854BE
KEGG Ligand C14235
Mcule MCULE-9737362370
MolPort MolPort-002-042-868
Nikkaji J2.469D
PubChem 8289
PubChem: Thomson Pharma 14752955
SureChEMBL SCHEMBL18116
ZINC ZINC000001688738

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