Mrv0541 02241216372D          

  5  0  0  0  0  0            999 V2000
  -98.4898  -56.7695    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
  -98.4898   18.9475    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
  -30.2797   56.7695    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   30.2797   18.9475    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   98.4898   56.7695    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
M  CHG  5   1   3   2   3   3  -2   4  -2   5  -2
M  END
> <DATABASE_ID>
FDB013265

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/2Fe.3O/q2*+3;3*-2

> <INCHI_KEY>
LIKBJVNGSGBSGK-UHFFFAOYSA-N

> <FORMULA>
Fe2O3

> <MOLECULAR_WEIGHT>
159.688

> <EXACT_MASS>
159.854628132

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
diiron(3+) ion trioxidandiide

> <JCHEM_LOGP>
-0.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.7

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7999999999999998

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
diiron(3+) ion trioxidandiide

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB013265

> <GENERIC_NAME>
Iron(III) oxide (Fe2O3)

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