Mrv0541 02241219162D          

  6  4  0  0  0  0            999 V2000
   -0.3808   -0.9516    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3170    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9516    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0154    0.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0154    0.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
M  CHG  3   1   2   2  -1   4  -1
M  END
> <DATABASE_ID>
FDB014740

> <DATABASE_NAME>
foodb

> <SMILES>
[Fe++].[O-]S([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2

> <INCHI_KEY>
BAUYGSIQEAFULO-UHFFFAOYSA-L

> <FORMULA>
FeO4S

> <MOLECULAR_WEIGHT>
151.908

> <EXACT_MASS>
151.886671311

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805291890677037

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
λ²-iron(2+) ion sulfate

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.034349054191991

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
λ²-iron(2+) ion sulfate

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB014740

> <GENERIC_NAME>
Iron(II) sulfate (FeSO4)

$$$$