Compound 71
  CheckMol                        TMF02:r0:m0
MF=H9B2Cd3O6 MW=463.89
 11  6  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 Cd  0  0  0  0  0  0  0  0  0  0  0  0
    3.4913    6.2277   -0.0000 Cd  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5477    4.2462   -0.0000 Cd  0  0  0  0  0  0  0  0  0  0  0  0
    2.3590    4.2462   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0497    3.5149   -0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2595    4.2698   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0380    2.0287   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8503   10.3795   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5410    9.6365   -0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.2318   10.3913   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5293    8.1503   -0.0000 O   0  0  0  0  0  0  0  0  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  1   1   2
M  CHG  1   2   2
M  CHG  1   3   2
M  CHG  1   4  -1
M  CHG  1   6  -1
M  CHG  1   7  -1
M  CHG  1   8  -1
M  CHG  1  10  -1
M  CHG  1  11  -1
M  END

2D Structure

Cadmium Borate

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Chemical Name - Cadmium Borate
Mol Weight - 58.808
Smiles - [O-]B([O-])[O-].[O-]B([O-])[O-].[Cd+2].[Cd+2].[Cd+2]

Property Name	Property Value
Mol Name	Cadmium Borate
Molweight	58.808
Monoisotopic Mass	58.99405
Clogs	3.28
H Acceptors	3
Total Surface Area	50.69
Relative Psa	0.84514
Polar Surface Area	69.18
Druglikeness	-1
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.75
Fragments	5
Non H Atoms	4
Non Ch Atoms	4
Electronegative Atoms	3
Sp3 Atoms	3
Symmetric Atoms	2
Smiles	[O-]B([O-])[O-].[O-]B([O-])[O-].[Cd+2].[Cd+2].[Cd+2]
InChIKey	InChI=1S/2BO3.3Cd/c22-1(3)4;;;/q2-3;3*+2
InChI	KSUWPYXSYBTWFG-UHFFFAOYSA-N

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1 — Cadmium Borate | 2 — Cadmium Borate