Mrv1572004191601232D          

 13  8  0  0  0  0            999 V2000
    0.0000    1.3750    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    3.1821    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.2750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929   -4.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7679   -3.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4179   -3.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929   -3.5750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  8  4  1  0  0  0  0
  8  5  1  0  0  0  0
  8  6  2  0  0  0  0
  8  7  2  0  0  0  0
 13  9  1  0  0  0  0
 13 10  1  0  0  0  0
 13 11  2  0  0  0  0
 13 12  2  0  0  0  0
M  CHG  3   1   2   4  -1   5  -1
M  END
> <DATABASE_ID>
CHEM004474

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/Fe.2H3N.2H2O4S/c;;;2*1-5(2,3)4/h;2*1H3;2*(H2,1,2,3,4)/q+2;;;;/p-2

> <INCHI_KEY>
IMBKASBLAKCLEM-UHFFFAOYSA-L

> <FORMULA>
FeH8N2O8S2

> <MOLECULAR_WEIGHT>
284.04

> <EXACT_MASS>
283.907144

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805278247285028

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <JCHEM_VEBER_RULE>
0

> <NAME>
Ferrous ammonium sulfate

> <CAS>
10045-89-3

$$$$