Mrv1572004191602482D          

  4  0  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7696    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  4   1   3   2  -1   3  -1   4  -1
M  END
> <DATABASE_ID>
DB13423

> <DATABASE_NAME>
drugbank

> <SMILES>
[OH-].[OH-].[OH-].[Fe+3]

> <INCHI_IDENTIFIER>
InChI=1S/Fe.3H2O/h;3*1H2/q+3;;;/p-3

> <INCHI_KEY>
MSNWSDPPULHLDL-UHFFFAOYSA-K

> <FORMULA>
FeH3O3

> <MOLECULAR_WEIGHT>
106.866

> <EXACT_MASS>
106.943155

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
iron(3+) ion trihydroxide

> <JCHEM_LOGP>
-0.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <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>
iron(3+) ion trihydroxide

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB13423

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Ferric hydroxide

$$$$