Mrv0541 02231214522D          

  6  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    2.3645    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1895    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  2  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
> <DATABASE_ID>
T3D2851

> <DATABASE_NAME>
t3db

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

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

> <INCHI_KEY>
CSNNHWWHGAXBCP-UHFFFAOYSA-L

> <FORMULA>
MgO4S

> <MOLECULAR_WEIGHT>
120.368

> <EXACT_MASS>
119.936771076

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805291890677037

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
magnesium(2+) ion sulfate

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.034349054191991

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
magnesium(2+) ion sulfate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D2851

> <NAME>
Magnesium Sulfate

> <CAS>
7487-88-9

> <SYNONYMS>
Bitter salt; Magnesium sulfate; Magnesium sulfate (1:1); Magnesium sulfate anhydrous; Magnesium sulfate dried; Magnesium sulfate heptahydrate; Magnesium sulfic acid; Magnesium sulphate; Magnesium sulphate anhydrous; Magnesium sulphate dried; Magnesium sulphate heptahydrate; Magnesium Sulphate Hydrate; Magnesium sulphic acid; Magnesiumsulfat; MgSO4

> <TYPES>
Inorganic Compound; Drug; Anti-Arrhythmia Agent; Anticonvulsant; Analgesic; Calcium Channel Blocker; Anesthetic; Tocolytic Agent; Metabolite; Household Toxin; Synthetic Compound

$$$$