Chem 2 Sec Butyl 5 Methoxypyrazine Dsrpl

Compound 156
  CheckMol                        TMF02:r0:m0
MF=C9H14N2O MW=166.22
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5077   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2839   -0.7303   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2721    2.2616   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3192    2.2616   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2604    3.7693   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3310    3.7693   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0471    4.5231   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0589    6.0308   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3664    6.7847   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    6.7847   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6738    6.0544   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4 02  0  1  0  0
  2  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7 02  0  1  0  0
  6  8 02  0  1  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
  7  8 01  0  1  0  0
M  END

2-sec-butyl-5-methoxypyrazine

₹ 0.00 0.00

Chemical Name - 2-sec-butyl-5-methoxypyrazine
Mol Weight - 166.223
Smiles - CCC(C)c(nc1)cnc1OC

Property Name	Property Value
Mol Name	2-sec-butyl-5-methoxypyrazine
Molweight	166.223
Monoisotopic Mass	166.110613
Clogp	1.6346
Clogs	-1.734
H Acceptors	3
Total Surface Area	143.82
Relative Psa	0.22208
Polar Surface Area	35.01
Druglikeness	-0.85796
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.75
Molecular Flexibility	0.48256
Molecular Complexity	0.62294
Fragments	1
Non H Atoms	12
Non Ch Atoms	3
Electronegative Atoms	3
Stereo Centers	1
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	6
Aromatic Nitrogens	2
Smiles	CCC(C)c(nc1)cnc1OC
InChIKey	InChI=1S/C9H14N2O/c1-4-7(2)8-5-11-9(12-3)6-10-8/h5-7H,4H2,1-3H3
InChI	WAMODMIVYBYMDN-UHFFFAOYSA-N

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1 - 2-sec-butyl-5-methoxypyrazine
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2-sec-butyl-5-methoxypyrazine