Compound 19
  CheckMol                        TMF02:r0:m0
MF=C7H6NNaO3S MW=207.18
 13 13  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    0.4257   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3548    1.4664   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5019    0.2247   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483   -1.4664   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.1760   -1.1117   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0880   -2.1642   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.5137   -2.2470   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.6661   -1.3600   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1471   -3.6543   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.4546   -3.7371   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.1183   -4.4348   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.1628   -1.4191   -0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  1  0  0
  1  5  1  0  1  0  0
  4  6  1  0  1  0  0
  5  7 02  0  2  0  0
  5  8 01  0  1  0  0
  6  9  2  0  0  0  0
  7 10 01  0  1  0  0
  8 11 02  0  1  0  0
 10 12 02  0  1  0  0
  6  7  1  0  1  0  0
 11 12 01  0  1  0  0
M  END

2D Structure

Sodium Saccharine

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Chemical Name - Sodium Saccharine
Mol Weight - 183.187
Smiles - O=C(c1c2cccc1)NS2(=O)=O.[Na]

Property Name	Property Value
Mol Name	Sodium Saccharine
Molweight	183.187
Monoisotopic Mass	182.999014
Clogp	0.3601
Clogs	-1.535
H Acceptors	4
H Donors	1
Total Surface Area	117.55
Relative Psa	0.45155
Polar Surface Area	71.62
Druglikeness	2.7517
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.5
Molecular Complexity	0.80605
Fragments	2
Non H Atoms	12
Non Ch Atoms	5
Electronegative Atoms	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Symmetric Atoms	1
Amides	1
Smiles	O=C(c1c2cccc1)NS2(=O)=O.[Na]
InChIKey	InChI=1S/C7H5NO3S.Na.H/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;/h1-4H,(H,8,9);;
InChI	MEFKTJPUORMZAM-UHFFFAOYSA-N

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1 — Sodium Saccharine | 2 — Sodium Saccharine