Compound 127
  CheckMol                        TMF02:r0:m0
MF=C10H15Fe MW=191.08
 11 10  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
   -4.8007    0.2824   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4477   -1.1649   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5417    1.0825   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9651   -1.2590   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4003    0.1294   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124   -0.0941   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2359    1.3767   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3299   -0.8707   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7298    1.4943   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1650    0.1059   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  1  0  0
  2  4  2  0  1  0  0
  3  5  2  0  1  0  0
  4  6  1  0  1  0  0
  7  8  1  0  1  0  0
  7  9  2  0  1  0  0
  8 10  2  0  1  0  0
  9 11  1  0  1  0  0
  5  6  1  0  1  0  0
 10 11  1  0  1  0  0
M  CHG  1   1   2
M  CHG  1   6  -1
M  CHG  1  11  -1
M  END

2D Structure

Ferrocene

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Chemical Name - Ferrocene
Mol Weight - 65.0947
Smiles - [cH-]1cccc1.[cH-]1cccc1.[Fe+2]

Property Name	Property Value
Mol Name	Ferrocene
Molweight	65.0947
Monoisotopic Mass	65.039125
Clogp	1.1064
Clogs	-1.435
Total Surface Area	61.05
Druglikeness	-2.3575
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Complexity	0.69315
Fragments	3
Non H Atoms	5
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	5
Sp3 Atoms	1
Symmetric Atoms	2
Smiles	[cH-]1cccc1.[cH-]1cccc1.[Fe+2]
InChIKey	InChI=1S/2C5H5.Fe/c21-2-4-5-3-1;/h21-5H;/q2*-1;+2
InChI	KTWOOEGAPBSYNW-UHFFFAOYSA-N

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1 — Ferrocene | 2 — Ferrocene