Mrv1572004221603042D          

  9  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 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    5.1268    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7143   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1  -1   2  -1   3   2
M  END
> <DATABASE_ID>
DBSALT002502

> <DATABASE_NAME>
drugbank

> <SMILES>
O.O.O.O.O.O.[Mg++].[Cl-].[Cl-]

> <INCHI_IDENTIFIER>
InChI=1S/2ClH.Mg.6H2O/h2*1H;;6*1H2/q;;+2;;;;;;/p-2

> <INCHI_KEY>
DHRRIBDTHFBPNG-UHFFFAOYSA-L

> <FORMULA>
Cl2H12MgO6

> <MOLECULAR_WEIGHT>
203.3

> <EXACT_MASS>
201.9861352

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
2.3881688999999993

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
magnesium(2+) ion hexahydrate dichloride

> <ALOGPS_LOGP>
1.16

> <JCHEM_LOGP>
0.6123387216666667

> <ALOGPS_LOGS>
-0.69

> <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>
1.93e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
magnesium(2+) ion hexahydrate dichloride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT002502

> <NAME>
Magnesium chloride hexahydrate

> <DRUG_DRUGBANK_ID>
DB09407

> <DRUG_NAME>
Magnesium chloride

> <CAS_NUMBER>
7791-18-6

> <UNII>
02F3473H9O

$$$$