Mrv1652306031607062D          

 16 16  0  0  0  0            999 V2000
    2.6664   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    2.1434    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211   -1.4289    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.6039    1.4289    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  3  5  1  4  0  0  0
  4  6  1  4  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM043618

> <DATABASE_NAME>
chemdb

> <SMILES>
BrC1CCC(Br)C(Br)CC=CC=CCC1Br

> <INCHI_IDENTIFIER>
InChI=1S/C12H16Br4/c13-9-5-3-1-2-4-6-10(14)12(16)8-7-11(9)15/h1-4,9-12H,5-8H2

> <INCHI_KEY>
PFVPRSFKPPWGTQ-UHFFFAOYSA-N

> <FORMULA>
C12H16Br4

> <MOLECULAR_WEIGHT>
479.876

> <EXACT_MASS>
475.798553

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
32.7770432682634

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6,7,10,11-tetrabromocyclododeca-1,3-diene

> <ALOGPS_LOGP>
6.76

> <JCHEM_LOGP>
5.848084873333333

> <ALOGPS_LOGS>
-6.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
87.64519999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.28e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6,7,10,11-tetrabromocyclododeca-1,3-diene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Tetrabromocyclododecadiene

$$$$