Mrv0541 09231415492D          

 16  6  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
    1.7679    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.8875    0.0000    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.6500    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411   -1.6500    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.4161   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0696   -1.6500    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    5.2446   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8982   -1.6500    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    8.0732   -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
  5  6  3  0  0  0  0
  7  8  3  0  0  0  0
  9 10  3  0  0  0  0
 11 12  3  0  0  0  0
 13 14  3  0  0  0  0
 15 16  3  0  0  0  0
M  CHG  8   1   1   2   1   3   1   4   3   5  -1   7  -1   9  -1  11  -1
M  CHG  2  13  -1  15  -1
M  END
> <DATABASE_ID>
T3D0762

> <DATABASE_NAME>
t3db

> <SMILES>
[K+].[K+].[K+].[Fe+3].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N

> <INCHI_IDENTIFIER>
InChI=1S/6CN.Fe.3K/c6*1-2;;;;/q6*-1;+3;3*+1

> <INCHI_KEY>
BYGOPQKDHGXNCD-UHFFFAOYSA-N

> <FORMULA>
C6FeK3N6

> <MOLECULAR_WEIGHT>
329.244

> <EXACT_MASS>
328.844506746

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
2.068129546361004

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
iron(3+) ion tripotassium hexakis(iminomethanide)

> <ALOGPS_LOGP>
-0.14

> <JCHEM_LOGP>
-0.34619831566666665

> <ALOGPS_LOGS>
-1.45

> <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>
4.72e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
iron(3+) ion tripotassium hexakis(cyanide)

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0762

> <NAME>
Potassium ferricyanide

> <CAS>
13746-66-2

> <SYNONYMS>
Iron potassium cyanide; K3Fe(CN)6; K3[Fe(CN)6]; Potassium cyanoferrate; Potassium ferricyanate; potassium hexacyanidoferrate(3-); Potassium hexacyanidoferrate(III); Potassium hexacyanoferrate (III); potassium hexacyanoferrate(3-); Potassium hexacyanoferrate(III); Potassium hexacyanoferrate(III) solution; Red prussiate; Red prussiate of potash; Tripotassium ferric hexacyanide; Tripotassium ferriccyanide; Tripotassium hexacyanidoferrate; Tripotassium hexacyanoferrate; Tripotassium hexacyanoferrate(3-); Tripotassium iron hexacyanide

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

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