Mrv0541 02241217252D          

 13  4  0  0  0  0            999 V2000
   -5.3209    0.4946    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
   -1.0309    1.1546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0309    1.9796    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0309    2.8046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8558    1.9796    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.2058    1.9796    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9284   -2.8046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009   -2.8046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1558   -2.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9284   -1.5671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9184   -1.5671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3209   -1.5671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1758   -0.4946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  CHG  3   1   2   5  -1   6  -1
M  END
> <DATABASE_ID>
DBSALT001240

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/Mg.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+2;;;;;;;;/p-2

> <INCHI_KEY>
WRUGWIBCXHJTDG-UHFFFAOYSA-L

> <FORMULA>
H14MgO11S

> <MOLECULAR_WEIGHT>
246.475

> <EXACT_MASS>
246.010723878

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.9999960608374163

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805277038236736

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
magnesium(2+) heptahydrate sulfate

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.896425425713869

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.0343490541919906

> <JCHEM_POLAR_SURFACE_AREA>
80.26

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001240

> <NAME>
Magnesium sulfate heptahydrate

> <DRUG_DRUGBANK_ID>
DB00653

> <DRUG_NAME>
Magnesium sulfate

> <CAS_NUMBER>
10034-99-8

> <UNII>
SK47B8698T

$$$$