-ISIS-  08251614172D

 17 19  0  0  0  0  0  0  0  0999 V2000
    1.2833   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2833   -1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4083   -2.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4208    0.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4542   -1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    1.4042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1417   -2.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11  3  2  0  0  0  0
 12  5  2  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 10  7  1  0  0  0  0
  5  8  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <ID> (STK722191)
STK722191

>  <Rotatable_Bonds> (STK722191)
0

>  <logP> (STK722191)
2.449

>  <PSA> (STK722191)
38.33

>  <H_Donors> (STK722191)
1

>  <H_Acceptors> (STK722191)
2

>  <Number_of_rings> (STK722191)
3

>  <NAME> (STK722191)
2,2-dimethyl-2,6-dihydro-5H-pyrano[3,2-c]quinolin-5-one

>  <Mol_Weight> (STK722191)
227.26

>  <Mol_Formula> (STK722191)
C14H13NO2

>  <Smiles> (STK722191)
O=c1[nH]c2ccccc2c2c1C=CC(O2)(C)C

$$$$