Compound 41
  CheckMol                        TMF02:r0:m0
MF=C7H7NaO2 MW=146.12
 10  9  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    2.6219    2.6219   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1253    1.2173   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1420    0.0702   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6001    0.9715   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1034   -0.4331   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.5599    2.1420   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.5783   -0.6789   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.0348    1.8962   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.5381    0.4916   -0.0000 C   0 00  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 02  0  1  0  0
  5  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10 02  0  1  0  0
  9 10 01  0  1  0  0
M  CHG  1   1   1
M  CHG  1   4  -1
M  END

2D Structure

Sodium Benzoate

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Chemical Name - Sodium Benzoate
Mol Weight - 121.115
Smiles - [O-]C(c1ccccc1)=O.[Na+]

Property Name	Property Value
Mol Name	Sodium Benzoate
Molweight	121.115
Monoisotopic Mass	121.028955
Clogp	-0.9313
Clogs	-1.629
H Acceptors	2
Total Surface Area	98.54
Relative Psa	0.27725
Polar Surface Area	40.13
Druglikeness	-1.5015
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.4098
Molecular Complexity	0.62123
Fragments	2
Non H Atoms	9
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Symmetric Atoms	2
Acidic Oxygens	1
Smiles	[O-]C(c1ccccc1)=O.[Na+]
InChIKey	InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
InChI	WXMKPNITSTVMEF-UHFFFAOYSA-M

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1 — Sodium Benzoate | 2 — Sodium Benzoate