Mrv0541 02241205272D          

 11  8  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.8839    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   -1.0320   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3175   -3.7125    0.0000 Sb  0  0  0  0  0  0  0  0  0  0  0  0
    0.0950   -4.4270    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7300   -2.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3969   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3969   -2.4750    0.0000 Sb  0  0  0  0  0  0  0  0  0  0  0  0
    0.3969   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2219   -2.4750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4281   -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  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  CHG  4   1   1   2   1   5  -1  10  -1
M  END
> <DATABASE_ID>
T3D1880

> <DATABASE_NAME>
t3db

> <SMILES>
[K+].[K+].O[Sb]([O-])(=O)O[Sb](O)([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/2K.2H2O.5O.2Sb/h;;2*1H2;;;;;;;/q2*+1;;;;;;2*-1;2*+1/p-2

> <INCHI_KEY>
DYPWPEXQPYKOAS-UHFFFAOYSA-L

> <FORMULA>
H2K2O7Sb2

> <MOLECULAR_WEIGHT>
435.73

> <EXACT_MASS>
433.715102228

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
11.74504595999544

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dipotassium hydrogen [(hydroxystibinato)oxy](oxo)stibonite

> <JCHEM_LOGP>
-2.565199999999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.79475742446855

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.146064498895441

> <JCHEM_POLAR_SURFACE_AREA>
129.95000000000002

> <JCHEM_REFRACTIVITY>
12.251

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
dipotassium hydrogen (hydroxystibinato)oxy(oxo)stibonite

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1880

> <NAME>
Potassium pyroantimonate

> <CAS>
10090-54-7

> <TYPES>
Inorganic Compound; Antimony Compound; Pollutant; Food Toxin; Synthetic Compound

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