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Compound 27
  CheckMol                        TMF02:r0:m0
MF=C8H17N2O4Pt MW=400.32
 15 13  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
    3.1499   -2.8719   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6676   -3.1151   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6948   -1.9571   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1465   -4.5048   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0960   -5.6396   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3358   -4.7480   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5204   -5.4659   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0416   -4.0531   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5238   -3.7868   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0920   -2.8951   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4966   -4.9217   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0450   -2.3740   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6131   -1.4823   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0954   -1.2159   -0.0000 C   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  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  1  0  0
  9 11  1  0  1  0  0
 10 12  1  0  0  0  0
 10 13  1  0  1  0  0
 11 14  1  0  1  0  0
 13 15  1  0  1  0  0
 14 15  1  0  1  0  0
M  CHG  1   1   2
M  CHG  1   4  -1
M  CHG  1   7  -1
M  END

Oxaliplatin

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Chemical Name - Oxaliplatin
Mol Weight - 114.191
Smiles - NC(CCCC1)C1N.[O-]C(C([O-])=O)=O.[Pt+2]

Property Name	Property Value
Mol Name	Oxaliplatin
Molweight	114.191
Monoisotopic Mass	114.115698
Clogp	-0.4478
Clogs	-1.504
H Acceptors	2
H Donors	2
Total Surface Area	97.08
Relative Psa	0.31459
Polar Surface Area	52.04
Druglikeness	-9.9389
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.625
Molecular Flexibility	0.29973
Molecular Complexity	0.59947
Fragments	3
Non H Atoms	8
Non Ch Atoms	2
Electronegative Atoms	2
Stereo Centers	2
Rings Closures	1
Small Rings	1
Sp3 Atoms	8
Symmetric Atoms	4
Amines	2
Alkyl Amines	2
Basic Nitrogens	2
Smiles	NC(CCCC1)C1N.[O-]C(C([O-])=O)=O.[Pt+2]
InChIKey	InChI=1S/C6H14N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-6H,1-4,7-8H2;(H,3,4)(H,5,6);/q;;+2/p-2
InChI	ZROHGHOFXNOHSO-UHFFFAOYSA-L

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Oxaliplatin