Mrv0541 02241205052D          

 17 16  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 U   0  0  0  0  0  0  0  0  0  0  0  0
    4.0794    0.7622    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.3951    0.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.0794   -0.7622    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.3172   -1.0779    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.5550   -0.7622    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.5550    0.7622    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.3172    1.0779    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.7622   -3.0436    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    1.0779   -3.8058    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.7622   -4.5680    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.8837    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7622   -4.5680    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0779   -3.8058    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7622   -3.0436    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7279    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 10 17  1  0  0  0  0
M  CHG  8   2  -1   3  -1   4  -1   5  -1   6  -1   7  -1   8  -1   9  -1
M  CHG  8  10  -1  11  -1  12  -1  13  -1  14  -1  15  -1  16  -1  17  -1
M  END
> <DATABASE_ID>
T3D1176

> <DATABASE_NAME>
t3db

> <SMILES>
[U].[CH-]1[CH-][CH-][CH-][CH-][CH-][CH-][CH-]1.[CH-]1[CH-][CH-][CH-][CH-][CH-][CH-][CH-]1

> <INCHI_IDENTIFIER>
InChI=1S/2C8H8.U/c2*1-2-4-6-8-7-5-3-1;/h2*1-8H;/q2*-8;

> <INCHI_KEY>
OJGLHSCQGBZUAH-UHFFFAOYSA-N

> <FORMULA>
C16H16U

> <MOLECULAR_WEIGHT>
446.3272

> <EXACT_MASS>
446.175983095

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
12.754609580721649

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-16

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis(cyclooctan-1,2,3,4,5,6,7,8-octaide) uranium

> <JCHEM_LOGP>
3.5565493200000002

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
27.151199999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
bis(cyclooctan-1,2,3,4,5,6,7,8-octaide) uranium

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1176

> <NAME>
Uranocene

> <CAS>
11079-26-8

> <SYNONYMS>
Bis(eta8-cyclooctatetraene)uranium; Uranium, bis(.eta.8-1,3,5,7-cyclooctatetraene; Uranium, bis(«eta»8-1,3,5,7-cyclooctatetraene

> <TYPES>
Inorganic Compound; Uranium Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound; Radioactive

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