Mrv1652306031607392D          

 26 28  0  0  0  0            999 V2000
    0.1921    0.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8580    0.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1921   -2.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8580   -2.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8580   -1.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -3.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2869   -2.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2869   -1.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -3.8404    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -0.5404    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0014   -3.0154    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0014   -1.3654    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  8  7  2  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  1  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
 15 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16  1  1  0  0  0  0
 16  2  1  0  0  0  0
 16  7  1  0  0  0  0
 17  3  1  0  0  0  0
 17  5  1  0  0  0  0
 17  8  1  0  0  0  0
 18  6  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
 24 14  1  0  0  0  0
 25 15  1  0  0  0  0
 26 16  1  0  0  0  0
 26 17  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044080

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1(C)OC(C)(C2=C1C(Br)=C(Br)C(Br)=C2Br)C1=CC(Br)=C(Br)C(Br)=C1Br

> <INCHI_IDENTIFIER>
InChI=1S/C17H10Br8O/c1-16(2)7-8(12(22)15(25)14(24)11(7)21)17(3,26-16)5-4-6(18)10(20)13(23)9(5)19/h4H,1-3H3

> <INCHI_KEY>
JTTLWJWZBUCMHQ-UHFFFAOYSA-N

> <FORMULA>
C17H10Br8O

> <MOLECULAR_WEIGHT>
869.498

> <EXACT_MASS>
861.419869

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
53.607940503026704

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4,5,6,7-tetrabromo-1,1,3-trimethyl-3-(2,3,4,5-tetrabromophenyl)-1,3-dihydro-2-benzofuran

> <ALOGPS_LOGP>
7.89

> <JCHEM_LOGP>
10.373519799666667

> <ALOGPS_LOGS>
-7.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.300420956583023

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
135.34110000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.18e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,5,6,7-tetrabromo-1,1,3-trimethyl-3-(2,3,4,5-tetrabromophenyl)-2-benzofuran

> <JCHEM_VEBER_RULE>
1

> <NAME>
4,5,6,7-tetrabromo-1,1,3-trimethyl-3-(2,3,4,5-tetrabromophenyl)-1,3-dihydro-2-benzofuran

$$$$