Mrv0541 02241205052D          

 20 18  0  0  0  0            999 V2000
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 U   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1470    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9720    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3845    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3845    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9720    0.0000    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
    4.5595   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9720   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7970   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5595   -2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6865   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1154   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4009    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4009    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 14 15  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13  8  1  0  0  0  0
 17  8  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1183

> <DATABASE_NAME>
t3db

> <SMILES>
O=[U]=O.CC(=O)O[Zn](OC(C)=O)(OC(C)=O)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/4C2H4O2.2O.U.Zn/c4*1-2(3)4;;;;/h4*1H3,(H,3,4);;;;/q;;;;;;;+4/p-4

> <INCHI_KEY>
GWVOTLSLVURWPV-UHFFFAOYSA-J

> <FORMULA>
C8H12O10UZn

> <MOLECULAR_WEIGHT>
571.613

> <EXACT_MASS>
570.022975765

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
23.62123859841623

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dioxouranium; tris(acetyloxy)zincio acetate

> <JCHEM_LOGP>
-0.07080000000000011

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.252090238002007

> <JCHEM_POLAR_SURFACE_AREA>
105.20000000000002

> <JCHEM_REFRACTIVITY>
46.86440000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
tris(acetyloxy)zincio acetate; uranium dioxide

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1183

> <NAME>
Uranyl zinc acetate

> <CAS>
10138-94-0

> <SYNONYMS>
Uranate(2-), bis(acetato-kappaO)dioxo-, zinc (1:1); Uranyl zinc acetic acid; Zinc bis(acetato-o)dioxouranate

> <TYPES>
Organic Compound; Zinc Compound; Uranium Compound; Organometallic; Pollutant; Industrial/Workplace Toxin; Synthetic Compound; Radioactive

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