Mrv1652306031606052D          

 32 35  0  0  0  0            999 V2000
   -1.8659   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9605   -1.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9605   -0.9999    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
   -4.6749   -2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6749   -0.5874    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
   -5.3894   -1.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3894   -0.9999    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
   -3.1759   -2.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1759   -0.7450    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
   -4.6749   -3.0624    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6749    0.2376    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
   -6.1039   -2.2374    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -6.1039   -0.5874    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
   -2.6909   -1.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9209   -2.8645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9209    0.0396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  2  0  0  0  0
  6  5  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 12 11  1  0  0  0  0
 13  9  2  0  0  0  0
 14 10  2  0  0  0  0
 14 13  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 13  1  0  0  0  0
 26 14  1  0  0  0  0
 27  1  1  0  0  0  0
 27 15  1  0  0  0  0
 27 16  1  0  0  0  0
 28  2  1  0  0  0  0
 28 17  1  0  0  0  0
 28 18  1  0  0  0  0
 29 15  2  0  0  0  0
 30 16  2  0  0  0  0
 31 17  2  0  0  0  0
 32 18  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM011818

> <DATABASE_NAME>
chemdb

> <SMILES>
BrC1=C(Br)C(Br)=C(Br)C2=C1C(=O)N(CCN1C(=O)C3=C(C1=O)C(Br)=C(Br)C(Br)=C3Br)C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H4Br8N2O4/c19-7-3-4(8(20)12(24)11(7)23)16(30)27(15(3)29)1-2-28-17(31)5-6(18(28)32)10(22)14(26)13(25)9(5)21/h1-2H2

> <INCHI_KEY>
DYIZJUDNMOIZQO-UHFFFAOYSA-N

> <FORMULA>
C18H4Br8N2O4

> <MOLECULAR_WEIGHT>
951.472

> <EXACT_MASS>
943.363811

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
59.66010553980186

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4,5,6,7-tetrabromo-2-[2-(4,5,6,7-tetrabromo-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione

> <ALOGPS_LOGP>
5.84

> <JCHEM_LOGP>
7.812694267333333

> <ALOGPS_LOGS>
-6.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.80296190509669

> <JCHEM_POLAR_SURFACE_AREA>
74.76

> <JCHEM_REFRACTIVITY>
147.43640000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.20e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
saytex BT 93

> <JCHEM_VEBER_RULE>
0

> <NAME>
1H-Isoindole-1,3(2H)-dione, 2,2'-(1,2-ethanediyl)bis[4,5,6,7-tetrabromo-

> <CAS>
32588-76-4

> <SYNONYMS>
N,N'-ethylenebis(3,4,5,6-tetrabromophthalimide)

$$$$