Mrv1909 03072016542D          

 13 10  0  0  0  0            999 V2000
   -0.2712    2.2015    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    0.3846    1.0575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3846    0.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0007   -0.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7916   -1.0575    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7872    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2790   -0.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9837    3.1134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9837    2.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5997    1.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3907    0.9983    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3862    2.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3199    1.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  7  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 13  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  CHG  3   1   2   5  -1  11  -1
M  END
> <DATABASE_ID>
DB14515

> <DATABASE_NAME>
drugbank

> <SMILES>
[Mg++].CC(O)C([O-])=O.CC(O)C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/2C3H6O3.Mg/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2

> <INCHI_KEY>
OVGXLJDWSLQDRT-UHFFFAOYSA-L

> <FORMULA>
C6H10MgO6

> <MOLECULAR_WEIGHT>
202.445

> <EXACT_MASS>
202.03277995

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.999390940605672

> <JCHEM_AVERAGE_POLARIZABILITY>
7.647949520006335

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
magnesium(2+) bis(2-hydroxypropanoate)

> <ALOGPS_LOGP>
-0.33

> <JCHEM_LOGP>
-0.47182951800000017

> <ALOGPS_LOGS>
-0.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.593508084825759

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.784942414122654

> <JCHEM_PKA_STRONGEST_BASIC>
-3.669649383241333

> <JCHEM_POLAR_SURFACE_AREA>
60.36

> <JCHEM_REFRACTIVITY>
29.676900000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.76e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lugol's iodine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14515

> <SECONDARY_ACCESSION_NUMBERS>
DBSALT002535

> <DRUG_GROUPS>
nutraceutical

> <GENERIC_NAME>
Magnesium lactate

> <SYNONYMS>
Magnesium DL-lactate; Magnesium lactate anhydrous; Magnesium lactate, anhydrous

> <PRODUCTS>
Magnesium Lactate Cap 70mg

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