Mrv0541 02241204342D          

  5  2  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 U   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  4  5  2  0  0  0  0
M  CHG  2   1  -1   2  -1
M  END
> <DATABASE_ID>
T3D1179

> <DATABASE_NAME>
t3db

> <SMILES>
[Cl-].[Cl-].O=[U]=O

> <INCHI_IDENTIFIER>
InChI=1S/2ClH.2O.U/h2*1H;;;/p-2

> <INCHI_KEY>
BKKYZQUZUALAAB-UHFFFAOYSA-L

> <FORMULA>
Cl2O2U

> <MOLECULAR_WEIGHT>
340.934

> <EXACT_MASS>
339.978317241

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
4.194784183297976

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dioxouranium dichloride

> <JCHEM_LOGP>
-0.7028

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.02462779027774

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
2.8858

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
uranium dioxide dichloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1179

> <NAME>
Uranyl chloride

> <CAS>
7791-26-6

> <SYNONYMS>
Dichlorodioxouranium

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

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