Mrv0541 09231415502D          

 17  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
    2.6518    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Fe  0  0  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   6   6  -1   8  -1  10  -1
M  CHG  3  12  -1  14  -1  16  -1
M  END
> <DATABASE_ID>
T3D0763

> <DATABASE_NAME>
t3db

> <SMILES>
[K+].[K+].[K+].[K+].[Fe+6].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N

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

> <INCHI_KEY>
AWDBHOZBRXWRKS-UHFFFAOYSA-N

> <FORMULA>
C6FeK4N6

> <MOLECULAR_WEIGHT>
368.34

> <EXACT_MASS>
367.806019287

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
2.068129546361004

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
4

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
λ⁶-iron(6+) ion tetrapotassium hexakis(iminomethanide)

> <ALOGPS_LOGP>
3.09

> <JCHEM_LOGP>
-0.34619831566666665

> <ALOGPS_LOGS>
-4.04

> <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>
2.28e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
λ⁶-iron(6+) ion tetrapotassium hexakis(cyanide)

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0763

> <NAME>
Potassium ferrocyanide

> <CAS>
13943-58-3

> <SYNONYMS>
Ferrate hexacyano tetrapotassium trihydrate; K4[Fe(CN)6]; Potassium ferrocyanate; Potassium hexacyanoferrate; Potassium hexacyanoferrate(II); Prussiate of potash; Tetrapotassium ferrocyanide; Tetrapotassium hexacyanoferrate; Tetrapotassium hexacyanoferrate(4-); Tetrapotassium hexacyanoferrate(II)

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

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