Mrv0541 02241205052D          

 11 10  0  0  0  0            999 V2000
    0.5530   -0.7876    0.0000 U   0  0  0  0  0  0  0  0  0  0  0  0
    0.5530    0.8624    0.0000 U   0  0  0  0  0  0  0  0  0  0  0  0
    0.5530    0.0374    0.0000 U   0  0  0  0  0  0  0  0  0  0  0  0
    0.5530   -1.6126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5530    1.6874    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3780    0.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3780    0.0374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2720   -0.7876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3780   -0.7876    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.2720    0.0374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2720    0.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  2  0  0  0  0
  2  6  2  0  0  0  0
  2  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  2  0  0  0  0
  3 10  2  0  0  0  0
  3  1  1  0  0  0  0
  1  8  2  0  0  0  0
  1  4  2  0  0  0  0
  1  9  1  0  0  0  0
M  CHG  2   5  -1   9  -1
M  END
> <DATABASE_ID>
T3D1162

> <DATABASE_NAME>
t3db

> <SMILES>
[O-][U](=O)(=O)[U](=O)(=O)[U]([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/8O.3U/q;;;;;;2*-1;;;

> <INCHI_KEY>
YHEXMWWDPCUYNN-UHFFFAOYSA-N

> <FORMULA>
O8U3

> <MOLECULAR_WEIGHT>
842.0819

> <EXACT_MASS>
842.111664725

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
13.852222042687007

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexaoxotriuranium-1,3-bis(olate)

> <JCHEM_LOGP>
-3.1808

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.609775339887019

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.893688432669006

> <JCHEM_PKA_STRONGEST_BASIC>
-4.391487093816418

> <JCHEM_POLAR_SURFACE_AREA>
148.54

> <JCHEM_REFRACTIVITY>
11.5432

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
hexaoxotriuranium-1,3-bis(olate)

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1162

> <NAME>
Triuranium octaoxide

> <CAS>
1344-59-8

> <SYNONYMS>
Uranium octaoxide; Uranium octoxide; Uranium oxide; Uranium oxide-protoxide; Uranium trioxide; Uranous-uranic oxide; Uranyl uranate

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

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