Chem Calcium Asparto Glycinate

Compound 29
  CheckMol                        TMF02:r0:m0
MF=C6H12CaN2O6 MW=248.25
 15 13  0  0  1               999 V2000
    0.0000   -0.0000   -0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
   -6.7996    0.0931   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8449   -1.0479   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3688   -2.4451   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3778   -0.7801   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8772    0.6404   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4231   -1.9211   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8552    1.8047   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9470   -3.3183   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3545    3.2252   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4374   -3.5628   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9923   -4.4593   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875    3.4929   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3326    4.3895   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8319    5.8099   -0.0000 N   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  1  0  0  0
  5  7  1  0  0  0  0
  6  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
 14 15  1  0  0  0  0
M  END

Calcium Asparto Glycinate

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Chemical Name - Calcium Asparto Glycinate
Mol Weight - 206.153
Smiles - NCC(ON[C@@H](CC(O)=O)C(O)=O)=O.[Ca]

Property Name	Property Value
Mol Name	Calcium Asparto Glycinate
Molweight	206.153
Monoisotopic Mass	206.053888
Clogp	-4.9941
Clogs	-0.205
H Acceptors	8
H Donors	4
Total Surface Area	149.45
Relative Psa	0.68284
Polar Surface Area	138.95
Druglikeness	-4.0026
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.64286
Molecular Flexibility	0.76941
Molecular Complexity	0.58773
Fragments	2
Non H Atoms	14
Non Ch Atoms	8
Electronegative Atoms	8
Stereo Centers	1
Rotatable Bonds	7
Sp3 Atoms	8
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Acidic Oxygens	2
Smiles	NCC(ON[C@@H](CC(O)=O)C(O)=O)=O.[Ca]
InChIKey	InChI=1S/C6H10N2O6.Ca.2H/c7-2-5(11)14-8-3(6(12)13)1-4(9)10;;;/h3,8H,1-2,7H2,(H,9,10)(H,12,13);;;/t3-;;;/m0.../s1
InChI	GTYGIPRXJKIPHX-LHWPGRLPSA-N

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Calcium Asparto Glycinate