Mrv1909 08212016422D          

  7  2  0  0  0  0            999 V2000
    1.5140   -0.3548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5140    0.3565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4974   -0.3722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5140    0.3722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8937   -0.2227    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1792    0.1897    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.5353   -0.2227    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT003011

> <DATABASE_NAME>
drugbank

> <SMILES>
O.O.O.O.Cl[Fe]Cl

> <INCHI_IDENTIFIER>
InChI=1S/2ClH.Fe.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2

> <INCHI_KEY>
WSSMOXHYUFMBLS-UHFFFAOYSA-L

> <FORMULA>
Cl2FeH8O4

> <MOLECULAR_WEIGHT>
198.81

> <EXACT_MASS>
197.9149

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
7.136839669410612

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dichloroiron tetrahydrate

> <ALOGPS_LOGP>
0.98

> <JCHEM_LOGP>
1.669

> <ALOGPS_LOGS>
-0.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
12.2726

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.31e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
unii-71TH42O2CQ

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT003011

> <NAME>
Ferrous chloride tetrahydrate

> <DRUG_DRUGBANK_ID>
DB13569

> <DRUG_NAME>
Ferrous chloride

> <CAS_NUMBER>
13478-10-9

$$$$