Mrv0541 02241205262D          

  7  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.0018    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.4750    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
  4  7  2  0  0  0  0
M  CHG  4   1   1   2   1   3  -1   5  -1
M  END
> <DATABASE_ID>
T3D1816

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/2Na.H2O4Se/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2

> <INCHI_KEY>
MHQOTKLEMKRJIR-UHFFFAOYSA-L

> <FORMULA>
Na2O4Se

> <MOLECULAR_WEIGHT>
188.94

> <EXACT_MASS>
189.875719666

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
6.120446175941655

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium selenate

> <JCHEM_LOGP>
-1.6279

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.550820273653851

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.281616324993172

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
18.886500000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
disodium selenate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1816

> <NAME>
Sodium selenate

> <CAS>
13410-01-0

> <SYNONYMS>
Caswell No. 791; Disodium selenate; Natriumseleniat; Sel-tox SSO2 and SS-20; Selenic acid (H2seo4), disodium salt; Selenic acid, disodium salt; Sodium selenic acid; Sodium selenium oxide; Sodium selenium oxide (Na2SeO4)

> <TYPES>
Inorganic Compound; Selenium Compound; Pollutant; Household Toxin; Synthetic Compound

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