Mrv0541 02241205262D          

  6  3  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Tl  0  3  0  0  0  0  0  0  0  0  0  0
    1.0018    0.0000    0.0000 Tl  0  3  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3645    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -3.0789    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
M  CHG  4   1   1   2   1   3  -1   5  -1
M  END
> <DATABASE_ID>
T3D1840

> <DATABASE_NAME>
t3db

> <SMILES>
[Tl+].[Tl+].[O-][Se]([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/H2O3Se.2Tl/c1-4(2)3;;/h(H2,1,2,3);;/q;2*+1/p-2

> <INCHI_KEY>
MPMWDEQGDVBQOZ-UHFFFAOYSA-L

> <FORMULA>
O3SeTl2

> <MOLECULAR_WEIGHT>
535.72

> <EXACT_MASS>
537.850090234

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
5.319366337913601

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis(λ¹-thallanylium) selenite

> <JCHEM_LOGP>
-1.2765

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.85751541308702

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.928731587215967

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
17.443600000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
bis(λ¹-thallanylium) selenite

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1840

> <NAME>
Thallium selenide

> <CAS>
12039-52-0

> <SYNONYMS>
Thallium selenite; THALLIUM SELENITE, Tl2SeO3

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

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