Mrv1909 10172017242D          

  7  4  0  0  0  0            999 V2000
    0.0541    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7791    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8792    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0459   -0.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0459    0.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    0.0000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    2.2958    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
M  CHG  3   2  -1   3  -1   6   2
M  END
> <DATABASE_ID>
DBSALT003054

> <DATABASE_NAME>
drugbank

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

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

> <INCHI_KEY>
LFCFXZHKDRJMNS-UHFFFAOYSA-L

> <FORMULA>
H2MgO5S

> <MOLECULAR_WEIGHT>
138.38

> <EXACT_MASS>
137.94733604

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.0238349759052339

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805309097760695

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
magnesium(2+) hydrate 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>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.0343490541919906

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
magnesium sulfate monohydrate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT003054

> <NAME>
Magnesium sulfate monohydrate

> <DRUG_DRUGBANK_ID>
DB00653

> <DRUG_NAME>
Magnesium sulfate

> <CAS_NUMBER>
14168-73-1

> <UNII>
E2L2TK027P

$$$$