Mrv1572004251606272D          

 14  0  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    3.5946    0.0000    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    6.7768    0.0000    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.6500    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    3.5946   -1.6500    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    6.7768   -1.6500    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.7696    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    5.9518    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.7696   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    5.9518   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    1.1196   -3.3000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
M  CHG  8   1   3   2   3   3   3   4   3   5   3   6   1   7  -2   8  -2
M  CHG  6   9  -2  10  -2  11  -2  12  -2  13  -2  14  -2
M  END
> <DATABASE_ID>
CHEM009636

> <DATABASE_NAME>
chemdb

> <SMILES>
[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[K+].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3]

> <INCHI_IDENTIFIER>
InChI=1S/5Fe.K.8O/q5*+3;+1;8*-2

> <INCHI_KEY>
YCIWSXOIJWOSND-UHFFFAOYSA-N

> <FORMULA>
Fe5KO8

> <MOLECULAR_WEIGHT>
446.315

> <EXACT_MASS>
446.597703

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
pentairon(3+) ion potassium octaoxidandiide

> <JCHEM_LOGP>
-0.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_PKA>
5.46

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.58

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
pentairon(3+) ion potassium octaoxidandiide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Iron potassium oxide (Fe5KO8)

> <CAS>
12160-30-4

$$$$