Compound 10
  CheckMol                        TMF02:r0:m0
MF=C10H16N2O8 MW=292.25
 20 19  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5065   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2711    2.2597   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3182    2.2597   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6246    1.5182   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6363    0.0353   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9310    2.2715   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9427   -0.6944   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2374    1.5300   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9545   -2.1773   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2491    0.0706   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5438    2.2833   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5555    3.7897   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8502    1.5418   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2727    4.5430   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1566    2.2950   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2845    6.0495   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9898    3.8015   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4630    1.5536   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1683    3.8015   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  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  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
M  END

2D Structure

EDTA

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Chemical Name - EDTA
Mol Weight - 292.243
Smiles - OC(CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)=O

Property Name	Property Value
Mol Name	EDTA
Molweight	292.243
Monoisotopic Mass	292.090668
Clogp	-6.1434
Clogs	1.67
H Acceptors	10
H Donors	4
Total Surface Area	213.06
Relative Psa	0.52408
Polar Surface Area	155.68
Druglikeness	-7.634
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.82716
Molecular Complexity	0.56446
Fragments	1
Non H Atoms	20
Non Ch Atoms	10
Electronegative Atoms	10
Rotatable Bonds	11
Sp3 Atoms	12
Symmetric Atoms	14
Amines	2
Alkyl Amines	2
Basic Nitrogens	2
Acidic Oxygens	4
Smiles	OC(CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)=O
InChIKey
InChI	C10H16N2O8

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1 — EDTA | 2 — EDTA