Mrv0541 02241205542D          

 27  6  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4786    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7179    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9571    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4786   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7179   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9571   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.0018   -3.3000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0036   -3.3000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.0054   -3.3000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.1250   -3.3000    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    0.4125   -4.9500    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411   -4.9500    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.4161   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0696   -4.9500    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    5.2446   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8982   -4.9500    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    8.0732   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7268   -4.9500    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   10.9018   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -6.6000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125   -6.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  3  0  0  0  0
 18 19  3  0  0  0  0
 20 21  3  0  0  0  0
 22 23  3  0  0  0  0
 24 25  3  0  0  0  0
 26 27  3  0  0  0  0
M  CHG  8  11   1  12   1  13   1  14   1  15   2  16  -1  18  -1  20  -1
M  CHG  3  22  -1  24  -1  26  -1
M  END
> <DATABASE_ID>
CHEM007861

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/6CN.Fe.4Na.10H2O/c6*1-2;;;;;;;;;;;;;;;/h;;;;;;;;;;;10*1H2/q6*-1;+2;4*+1;;;;;;;;;;

> <INCHI_KEY>
JFSUDVTVQZUDOP-UHFFFAOYSA-N

> <FORMULA>
C6H20FeN6Na4O10

> <MOLECULAR_WEIGHT>
484.061

> <EXACT_MASS>
484.018111723

> <JCHEM_ACCEPTOR_COUNT>
1

> <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) decahydrate

> <JCHEM_LOGP>
-0.34619831566666665

> <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

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

> <JCHEM_VEBER_RULE>
1

> <NAME>
YELLOW PRUSSIATE OF SODA

> <CAS>
14434-22-1

$$$$