Mrv0541 09231415502D          

 17  6  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
    2.0036    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.0054    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    2.8286   -1.6500    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.0036   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6571   -1.6500    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.8321   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4857   -1.6500    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    7.6607   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -3.3000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411   -3.3000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.4161   -3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0696   -3.3000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    5.2446   -3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  3  0  0  0  0
  8  9  3  0  0  0  0
 10 11  3  0  0  0  0
 12 13  3  0  0  0  0
 14 15  3  0  0  0  0
 16 17  3  0  0  0  0
M  CHG  8   1   1   2   1   3   1   4   1   5   2   6  -1   8  -1  10  -1
M  CHG  3  12  -1  14  -1  16  -1
M  END
> <DATABASE_ID>
T3D0767

> <DATABASE_NAME>
t3db

> <SMILES>
[Na+].[Na+].[Na+].[Na+].[Fe++].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N

> <INCHI_IDENTIFIER>
InChI=1S/6CN.Fe.4Na/c6*1-2;;;;;/q6*-1;+2;4*+1

> <INCHI_KEY>
GTSHREYGKSITGK-UHFFFAOYSA-N

> <FORMULA>
C6FeN6Na4

> <MOLECULAR_WEIGHT>
303.908

> <EXACT_MASS>
303.912464863

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
2.068129546361004

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
λ²-iron(2+) ion tetrasodium hexakis(iminomethanide)

> <ALOGPS_LOGP>
-0.59

> <JCHEM_LOGP>
-0.34619831566666665

> <ALOGPS_LOGS>
-0.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.499999999999998

> <JCHEM_POLAR_SURFACE_AREA>
23.79

> <JCHEM_REFRACTIVITY>
15.814900000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.78e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
λ²-iron(2+) ion tetrasodium hexakis(cyanide)

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0767

> <NAME>
Sodium ferrocyanide

> <CAS>
13601-19-9

> <SYNONYMS>
Na4[Fe(CN)6]; Sodium ferrocyanide decahydrate; Sodium hexacyanidoferrate(4-); Sodium hexacyanidoferrate(II); Sodium hexacyanoferate(II); Sodium hexacyanoferrate(4-); Sodium hexacyanoferrate(II); Sodium prussiate yellow; Tetrasodium ferrocyanide; Tetrasodium hexacyanidoferrate; Tetrasodium hexacyanoferrate; Tetrasodium hexacyanoferrate(4-); Yellow prussiate of soda

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

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