Mrv1572004161621572D          

 20 12  0  0  0  0            999 V2000
    0.7425   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3300    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4950    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2193    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8068   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2193   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9818   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.6961    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2836   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6961   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4586   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -3.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -3.0789    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7696   -3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1268   -3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.4434    0.0000 U   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200    0.0000    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
M  CHG  5   4  -1   8  -1  12  -1  16  -1  20   4
M  END
> <DATABASE_ID>
CHEM001012

> <DATABASE_NAME>
chemdb

> <SMILES>
O.O.[Zn+4].[U].CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/4C2H4O2.2H2O.U.Zn/c4*1-2(3)4;;;;/h4*1H3,(H,3,4);2*1H2;;/q;;;;;;;+4/p-4

> <INCHI_KEY>
ROXCWWQODIFLQH-UHFFFAOYSA-J

> <FORMULA>
C8H16O10UZn

> <MOLECULAR_WEIGHT>
575.61

> <EXACT_MASS>
574.05428

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
4.955916234550971

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
λ⁴-zinc(4+) ion tetraacetate dihydrate uranium

> <ALOGPS_LOGP>
1.34

> <JCHEM_LOGP>
-0.2233457143333334

> <ALOGPS_LOGS>
-2.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.543439679000835

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
23.480800000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.11e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
λ⁴-zinc(4+) ion tetraacetate dihydrate uranium

> <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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