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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2022081
CHEMBL2022081
Compound Name HEXACHLOROCYCLOTRIPHOSPHAZENE
ChEMBL Synonyms Hexachlorocyclotriphosphazene
Max Phase 0
Trade Names
Molecular Formula Cl6N3P3

Additional synonyms for CHEMBL2022081 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clp1(Cl)np(Cl)(Cl)np(Cl)(Cl)n1
Standard InChI InChI=1S/Cl6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10
Standard InChI Key UBIJTWDKTYCPMQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2022081

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
347.7 344.7436 1.91 0 38.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - 1 12 0.72

Structural Alerts

There are 4 structural alerts for CHEMBL2022081. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UBIJTWDKTYCPMQ-UHFFFAOYSA-N
Wikipedia Hexachlorophosphazene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2022081



ACToR 141552-05-8 940-71-6
eMolecules 484777
EPA CompTox Dashboard DTXSID4061331
FDA SRS 7VR28MTM9D
MolPort MolPort-000-525-643
Nikkaji J129.840B
PubChem 220225
PubChem: Thomson Pharma 14802752
SureChEMBL SCHEMBL459364
ZINC ZINC000006827615

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