Mrv1652306131721312D          

  8  4  0  0  0  0            999 V2000
   -1.1785    2.0625    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
   -1.1785    1.2375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1785   -0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0035    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3535    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1785    0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0035    0.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1785   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  2  1  0  0  0  0
  6  3  1  0  0  0  0
  6  4  2  0  0  0  0
  6  5  2  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
> <DATABASE_ID>
DBSALT002463

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/Fe.H2O4S.2H2O/c;1-5(2,3)4;;/h;(H2,1,2,3,4);2*1H2/q+2;;;/p-2

> <INCHI_KEY>
KFJBRJOPXNCARV-UHFFFAOYSA-L

> <FORMULA>
FeH4O6S

> <MOLECULAR_WEIGHT>
187.93

> <EXACT_MASS>
187.907795

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805278247285028

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
lambda2-iron(2+) ion dihydrate 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>
lambda2-iron(2+) ion dihydrate sulfate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002463

> <NAME>
Ferrous sulfate dihydrate

> <DRUG_DRUGBANK_ID>
DB13257

> <DRUG_NAME>
Ferrous sulfate

> <CAS_NUMBER>
10028-21-4

> <UNII>
G0Z5449449

$$$$