Mrv0541 08261423172D          

  5  1  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6518    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036   -1.6500    0.0000 U   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1166

> <DATABASE_NAME>
t3db

> <SMILES>
O.O.[U].OO

> <INCHI_IDENTIFIER>
InChI=1S/H2O2.2H2O.U/c1-2;;;/h1-2H;2*1H2;

> <INCHI_KEY>
PNXRGOSGKUKGJA-UHFFFAOYSA-N

> <FORMULA>
H6O4U

> <MOLECULAR_WEIGHT>
308.0742

> <EXACT_MASS>
308.077391263

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
2.291055697453342

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
peroxol dihydrate uranium

> <JCHEM_LOGP>
-0.447202414

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.397218846455527

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.520607090216412

> <JCHEM_PKA_STRONGEST_BASIC>
-4.189015938635916

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
5.1292

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
hydrogen peroxide dihydrate uranium

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1166

> <NAME>
Uranium peroxide

> <CAS>
12036-71-4

> <SYNONYMS>
Uranium dioxideperoxide; Uranyl peroxide

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

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