Mrv1652306222023582D          

  8  0  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    3.4768    0.0000    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    2.6518    0.0000    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    5.8339    0.0000    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7143   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  6   1   2   2   2   3  -1   4  -1   5  -1   6  -1
M  END
> <DATABASE_ID>
FDB112415

> <DATABASE_NAME>
foodb

> <SMILES>
S.S.[SH-].[SH-].[SH-].[SH-].[Fe++].[Fe++]

> <INCHI_IDENTIFIER>
InChI=1S/2Fe.6H2S/h;;6*1H2/q2*+2;;;;;;/p-4

> <INCHI_KEY>
MZMMVZPHZTYDNI-UHFFFAOYSA-J

> <FORMULA>
Fe2H8S6

> <MOLECULAR_WEIGHT>
312.11

> <EXACT_MASS>
311.764899

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis(lambda2-iron(2+) ion) disulfane tetrasulfanide

> <JCHEM_LOGP>
-0.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <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>
bis(lambda2-iron(2+) ion) disulfane tetrasulfanide

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB112415

> <GENERIC_NAME>
2Fe-2S

$$$$