ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL229975
CHEMBL229975
Compound Name
ChEMBL Synonyms 2,2',3,3',4,4',5,5',6,6' Decabromodiphenylether
Max Phase 0
Trade Names
Molecular Formula C12Br10O

Additional synonyms for CHEMBL229975 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Brc1c(Br)c(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br
Standard InChI InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21) ...
Download InChI
Standard InChI Key WHHGLZMJPXIBIX-UHFFFAOYSA-N

Structural Alerts

There are 8 structural alerts for CHEMBL229975. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL229975

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
959.2 949.1783 10.87 2 9.23 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 9.45 9.45 2 23 0.22

Compound Cross References

ChemSpider ChemSpider:WHHGLZMJPXIBIX-UHFFFAOYSA-N
Wikipedia Decabromodiphenyl_ether

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL229975



ACToR 1163-19-5 109945-70-2
eMolecules 487267
FDA SRS N80BQ29A0H
IBM Patent System FF6657296EBA7394BAF23216BF0F7F99
IBM Patents WO2003091308A1 US4434272 US7695650 US20020151625 WO2007056977A1 WO2010036752A1 US4702861 EP0273149A2 EP1416552A2 US5601896 US6474887 EP0625547A1 US6905637 US5080965 US4598116 US6390676 EP1278683A2 EP1185586A1 EP1537185A1 EP2176333A1 EP0636658A1 US6464903 EP2206739A2 EP1192207A1 EP0314188A2 US4111902 US20080188580 EP0042561A1 US6872832 EP1956048A1 US20090233231 US20060041068 US4051311 EP2231780A1 EP0652138A1 EP1250382A1 US6713411 US6417288 US4343917 EP1312073A1 US20020040089 US4154913 US20020161078 US20060270773 US7687414 WO2008082138A1 US5204022 WO2006023709A1 WO2010057851A1 US20100210763 US20100210764 EP2145919A1 US20020040145 US20040249022 EP0811660A1 US6348542 EP0086655A1 US4940745 US20040235999 WO2003033585A1 EP0568039A1 US6740695 WO2000042095A1 EP0611798B1 WO2005030852A2 US7358321 US20030229162 WO2008045500A2 US20020117651 US4524191 EP0611802B1 EP1348005A1 EP2152793A1 EP1265960A1 US20020176953 WO2004035671A1 US20080274274 US20070282045 US20030207082 WO2007053500A1 US6846530 WO1996041355A1 EP1505086B1 EP0568626B1 US20070197696 EP1525263A1 EP1348005B1 WO2009050682A2 US4940802 WO1989000759A1 US7090920 US20070225415 US6451887 EP1917383A1 EP1892263A2 US20100051193 EP1070745A1 EP0071765A2 EP0366700B1 EP0886551A1
KEGG Ligand C19383
MolPort MolPort-001-757-235
Nikkaji J2.127J
PubChem 14410
PubChem: Thomson Pharma 14792036
SureChEMBL SCHEMBL33901

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