Chem 2356 Tetramethylpyrazine1 Oxide Dsrpl

Compound 138
  CheckMol                        TMF02:r0:m0
MF=C8H12N2O MW=152.20
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4934   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2800   -2.2400   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3274   -2.2282   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2682   -3.7334   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5719   -1.4815   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3393   -3.7216   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6430   -1.4578   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4682   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5601   -4.4801   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6549   -4.4564   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  3  6  1  0  0  0  0
  4  7 02  0  1  0  0
  4  8  1  0  0  0  0
  5  9 02  0  1  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9 01  0  1  0  0
M  CHG  1   1  -1
M  CHG  1   2   1
M  END

2,3,5,6-tetramethylpyrazine1-oxide

₹ 0.00 0.00

Chemical Name - 2,3,5,6-tetramethylpyrazine1-oxide
Mol Weight - 152.196
Smiles - Cc1c(C)[n+]([O-])c(C)c(C)n1

Property Name	Property Value
Mol Name	2,3,5,6-tetramethylpyrazine1-oxide
Molweight	152.196
Monoisotopic Mass	152.094963
Clogp	0.6035
Clogs	-3.882
H Acceptors	3
Total Surface Area	123.11
Relative Psa	0.20494
Polar Surface Area	38.35
Druglikeness	-3.545
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.54545
Molecular Complexity	0.72218
Fragments	1
Non H Atoms	11
Non Ch Atoms	3
Electronegative Atoms	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	5
Symmetric Atoms	4
Aromatic Nitrogens	2
Basic Nitrogens	1
Acidic Oxygens	1
Smiles	Cc1c(C)[n+]([O-])c(C)c(C)n1
InChIKey	InChI=1S/C8H12N2O/c1-5-7(3)10(11)8(4)6(2)9-5/h1-4H3
InChI	MRKOVWZAVHJNPG-UHFFFAOYSA-N

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1 - 2,3,5,6-tetramethylpyrazine1-oxide
2 - 2,3,5,6-tetramethylpyrazine1-oxide

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2,3,5,6-tetramethylpyrazine1-oxide