Mrv1652305081723372D          

 13  6  0  0  0  0            999 V2000
   14.4006  -11.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6861  -12.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9717  -11.7000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.6861  -12.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7010  -11.0958    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.9865  -11.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2720  -11.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6988  -11.9441    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
   12.0422   -9.5403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0380  -10.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9865  -12.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8622   -9.6204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5655  -10.0096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
M  CHG  3   3  -1   5  -1   8   2
M  END
> <DATABASE_ID>
DB09409

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/2C2H4O2.Mg.4H2O/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);;4*1H2/q;;+2;;;;/p-2

> <INCHI_KEY>
XKPKPGCRSHFTKM-UHFFFAOYSA-L

> <FORMULA>
C4H14MgO8

> <MOLECULAR_WEIGHT>
214.453

> <EXACT_MASS>
214.05390911

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
4.955986793934291

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
magnesium(2+) ion diacetate tetrahydrate

> <ALOGPS_LOGP>
0.29

> <JCHEM_LOGP>
-0.2233457143333334

> <ALOGPS_LOGS>
-0.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.543439679000835

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
23.480800000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.82e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
magnesium(2+) ion diacetate tetrahydrate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09409

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Magnesium acetate tetrahydrate

> <SYNONYMS>
Acetic acid, magnesium salt, tetrahydrate; Magnesium diacetate tetrahydrate

> <PRODUCTS>
Plasma-lyte 56; Plasma-lyte 56 and Dextrose

$$$$