TOLUEN
 OpenBabel10231514242D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -0.9809    1.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6953    0.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6953   -0.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9809   -0.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2664   -0.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2664    0.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4481    1.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <logP>
1.995

>  <MW>
92.1384

>  <TPSA>
0

$$$$