Mrv1572004191601222D          

  3  0  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.7696    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1  -1   2  -1   3   2
M  END
> <DATABASE_ID>
DB13569

> <DATABASE_NAME>
drugbank

> <SMILES>
[Cl-].[Cl-].[Fe++]

> <INCHI_IDENTIFIER>
InChI=1S/2ClH.Fe/h2*1H;/q;;+2/p-2

> <INCHI_KEY>
NMCUIPGRVMDVDB-UHFFFAOYSA-L

> <FORMULA>
Cl2Fe

> <MOLECULAR_WEIGHT>
126.75

> <EXACT_MASS>
125.872641

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
2.3881688999999993

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
0.98

> <JCHEM_LOGP>
0.6123387216666667

> <ALOGPS_LOGS>
-0.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-7.000000000000001

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
5.6156

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.31e+01 g/l

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

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB13569

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Ferrous chloride

> <SALTS>
Ferrous chloride tetrahydrate

$$$$