Chem Magnesium Citrate Malate

Compound 43
  CheckMol                        TMF02:r0:m0
MF=C10H16MgO12 MW=352.53
 23 20  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 Mg  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8753   -3.4972   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6314   -4.7850   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8989   -6.0729   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1438   -4.7732   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6561   -4.7614   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4112   -6.0610   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4112   -3.4618   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1674   -7.3489   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1674   -2.1503   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6797   -7.3371   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4349   -8.6367   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4349   -0.8389   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6797   -2.1385   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5520   -3.4027   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0397   -3.3909   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2836   -2.0794   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2836   -4.6787   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2288   -4.6669   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0161   -5.9665   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2599   -7.2544   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9925   -8.5422   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2524   -7.2425   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  1   1   2
M  CHG  1  17  -1
M  CHG  1  23  -1
M  END

Magnesium Citrate Malate

₹ 0.00 0.00

Chemical Name - Magnesium Citrate Malate
Mol Weight - 192.123
Smiles - [O-]C(CC(C([O-])=O)O)=O.OC(CC(O)=O)(CC(O)=O)C(O)=O.[Mg+2]

Property Name	Property Value
Mol Name	Magnesium Citrate Malate
Molweight	192.123
Monoisotopic Mass	192.027005
Clogp	-2.1297
Clogs	0.071
H Acceptors	7
H Donors	4
Total Surface Area	130.08
Relative Psa	0.70357
Polar Surface Area	132.13
Druglikeness	3.5617
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.53846
Molecular Flexibility	0.87486
Molecular Complexity	0.57762
Fragments	3
Non H Atoms	13
Non Ch Atoms	7
Electronegative Atoms	7
Rotatable Bonds	5
Sp3 Atoms	7
Symmetric Atoms	4
Acidic Oxygens	3
Smiles	[O-]C(CC(C([O-])=O)O)=O.OC(CC(O)=O)(CC(O)=O)C(O)=O.[Mg+2]
InChIKey	InChI=1S/C6H8O7.C4H6O5.Mg/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-2(4(8)9)1-3(6)7;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,5H,1H2,(H,6,7)(H,8,9);/q;;+2/p-2
InChI	MWYULAPUNLUPIP-UHFFFAOYSA-L

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Magnesium Citrate Malate