Mrv0541 02241205052D          

  9  6  0  0  0  0            999 V2000
   -0.7145    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8359    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5504   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2648    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.9250    0.0000 U   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  7  8  2  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1180

> <DATABASE_NAME>
t3db

> <SMILES>
OC=O.OC=O.O=[U]=O

> <INCHI_IDENTIFIER>
InChI=1S/2CH2O2.2O.U/c2*2-1-3;;;/h2*1H,(H,2,3);;;

> <INCHI_KEY>
SFIHWLKHBCDNCE-UHFFFAOYSA-N

> <FORMULA>
C2H4O6U

> <MOLECULAR_WEIGHT>
362.0785

> <EXACT_MASS>
362.051570443

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
3.3740579149165244

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dioxouranium; bis(formic acid)

> <JCHEM_LOGP>
-0.2720444223333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.2691179843154865

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
8.1532

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
bis(formic acid); uranium dioxide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1180

> <NAME>
Uranyl formate

> <CAS>
16984-59-1

> <SYNONYMS>
Bis(formato-o)dioxouranium; Uranyl formic acid

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

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