Mrv0541 02241205052D          

  8  6  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  2  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
    3.6536   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6536    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.4786    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0000    0.0000 O   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  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  2  0  0  0  0
M  CHG  3   2   2   4  -1   6  -1
M  END
> <DATABASE_ID>
T3D1182

> <DATABASE_NAME>
t3db

> <SMILES>
O=[U++]=O.[O-]S([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/H2O4S.2O.U/c1-5(2,3)4;;;/h(H2,1,2,3,4);;;/q;;;+2/p-2

> <INCHI_KEY>
XEZIPWHQHLVFHG-UHFFFAOYSA-L

> <FORMULA>
O6SU

> <MOLECULAR_WEIGHT>
366.09

> <EXACT_MASS>
365.992341005

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805291890677037

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dioxouraniumbis(ylium) sulfate

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.034349054191991

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
dioxouranium(2+) sulfate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1182

> <NAME>
Uranyl sulfate

> <CAS>
1314-64-3

> <SYNONYMS>
Dioxo(sulphato(2-)-O)uranium; Dioxosulfatouranium; Uranium oxide sulfate; Uranium oxysulfate; Uranyl sulfic acid; Uranyl sulphate; Uranyl sulphic acid

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

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