Chem Pyrazine 2356 Tetracarbonitrile Dsrpl

Compound 253
  CheckMol                        TMF02:r0:m0
MF=C8N6 MW=180.13
 14 14  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2901    0.7575   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5803    1.5150   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5684    3.0300   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8704    0.7693   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8586    3.7876   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1605    1.5387   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8586   -0.7220   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8467    5.3026   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1487    3.0537   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8467   -2.2134   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8349    6.8176   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4388    3.8112   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7290    4.5687   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4 02  0  1  0  0
  3  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7 02  0  1  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10 02  0  1  0  0
  8 11  3  0  0  0  0
  9 12  3  0  0  0  0
 10 13  1  0  0  0  0
 13 14  3  0  0  0  0
  7 10 01  0  1  0  0
M  END

pyrazine-2,3,5,6-tetracarbonitrile

₹ 0.00 0.00

Chemical Name - pyrazine-2,3,5,6-tetracarbonitrile
Mol Weight - 180.13
Smiles - N#Cc(nc1C#N)c(C#N)nc1C#N

Property Name	Property Value
Mol Name	pyrazine-2,3,5,6-tetracarbonitrile
Molweight	180.13
Monoisotopic Mass	180.018444
Clogp	-0.7838
Clogs	-3.214
H Acceptors	6
Total Surface Area	157.62
Relative Psa	0.48331
Polar Surface Area	120.94
Druglikeness	-6.0498
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.57143
Molecular Complexity	0.68861
Fragments	1
Non H Atoms	14
Non Ch Atoms	6
Electronegative Atoms	6
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Symmetric Atoms	10
Aromatic Nitrogens	2
Smiles	N#Cc(nc1C#N)c(C#N)nc1C#N
InChIKey	InChI=1S/C8N6/c9-1-5-6(2-10)14-8(4-12)7(3-11)13-5
InChI	VOHLAVUPSKBRPU-UHFFFAOYSA-N

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1 - pyrazine-2,3,5,6-tetracarbonitrile
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pyrazine-2,3,5,6-tetracarbonitrile