-ISIS-  08251614502D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.8625    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.0042    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0042    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.5042    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7292    2.0042    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7292   -1.0000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7333   -0.9958    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.5958    0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  3  2  0  0  0  0
 14  4  2  0  0  0  0
 15 11  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  1  0  0  0  0
  7  2  2  0  0  0  0
M  CHG  4   3   1   4   1   9  -1  10  -1
M  END
>  <ID> (STK693167)
STK693167

>  <Rotatable_Bonds> (STK693167)
0

>  <logP> (STK693167)
3.143

>  <PSA> (STK693167)
98.12

>  <H_Donors> (STK693167)
0

>  <H_Acceptors> (STK693167)
4

>  <Number_of_rings> (STK693167)
1

>  <NAME> (STK693167)
N,N,N',N'-tetramethyl-4,6-dinitrobenzene-1,3-diamine

>  <Mol_Weight> (STK693167)
254.25

>  <Mol_Formula> (STK693167)
C10H14N4O4

>  <Smiles> (STK693167)
CN(c1cc(N(C)C)c(cc1[N+](=O)[O-])[N+](=O)[O-])C

$$$$