Mrv1652306131722042D          

 22 12  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7143    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3071   -2.4750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.4821   -2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4821   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4821   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6571   -2.4750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -5.7750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8893   -6.6000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8893   -5.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8893   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7143   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0643   -5.7750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.1321   -2.4750    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    4.8321   -2.4750    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
M  CHG  8   6  -1  10  -1  11  -1  15  -1  16  -1  20  -1  21   3  22   3
M  END
> <DATABASE_ID>
DB11171

> <DATABASE_NAME>
drugbank

> <SMILES>
O.O.O.O.O.[Fe+3].[Fe+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/2Fe.3H2O4S.5H2O/c;;3*1-5(2,3)4;;;;;/h;;3*(H2,1,2,3,4);5*1H2/q2*+3;;;;;;;;/p-6

> <INCHI_KEY>
YHGPYBQVSJBGHH-UHFFFAOYSA-H

> <FORMULA>
Fe2H10O17S3

> <MOLECULAR_WEIGHT>
489.93

> <EXACT_MASS>
489.777884

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805278336816905

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
diiron(3+) ion pentahydrate trisulfate

> <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>
diiron(3+) ion pentahydrate trisulfate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB11171

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Ferric sulfate

> <SYNONYMS>
Ferric sulfate

> <PRODUCTS>
FasTRACT Topical Hemostat; FastStat Topical Hemostat; Ferrostat Liq 21%; Hemodent FS; Stasis; Statis Hemostyptic Soln 210mg/ml

$$$$