Mrv1652306031607392D          

 26 27  0  0  0  0            999 V2000
    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.8875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  2  0  0  0  0
 14 12  1  0  0  0  0
 15  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20  8  1  0  0  0  0
 21  9  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25  1  1  0  0  0  0
 25 13  1  0  0  0  0
 26  2  1  0  0  0  0
 26 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM013028

> <DATABASE_NAME>
chemdb

> <SMILES>
BrC1=C(Br)C(Br)=C(OCCOC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)C(Br)=C1Br

> <INCHI_IDENTIFIER>
InChI=1S/C14H4Br10O2/c15-3-5(17)9(21)13(10(22)6(3)18)25-1-2-26-14-11(23)7(19)4(16)8(20)12(14)24/h1-2H2

> <INCHI_KEY>
JJEPQBZQAGCZTH-UHFFFAOYSA-N

> <FORMULA>
C14H4Br10O2

> <MOLECULAR_WEIGHT>
1003.224

> <EXACT_MASS>
993.204509

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
56.928660189989856

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,2,3,4,5-pentabromo-6-[2-(2,3,4,5,6-pentabromophenoxy)ethoxy]benzene

> <ALOGPS_LOGP>
7.66

> <JCHEM_LOGP>
11.147150410666665

> <ALOGPS_LOGS>
-7.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.654545891886556

> <JCHEM_POLAR_SURFACE_AREA>
18.46

> <JCHEM_REFRACTIVITY>
139.30140000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.04e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
firemaster 695

> <JCHEM_VEBER_RULE>
1

> <NAME>
Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis[2,3,4,5,6-pentabromo-

> <CAS>
61262-53-1

> <SYNONYMS>
FireMaster 695

$$$$