-ISIS-  08091621332D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.8583   -1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208   -1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958   -1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083   -1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -1.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13  3  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
  8 10  1  0  0  0  0
  3  6  2  0  0  0  0
M  END
>  <ID> (BBL000649)
BBL000649

>  <Rotatable_Bonds> (BBL000649)
1

>  <logP> (BBL000649)
3.137

>  <PSA> (BBL000649)
38.33

>  <H_Donors> (BBL000649)
1

>  <H_Acceptors> (BBL000649)
2

>  <Number_of_rings> (BBL000649)
2

>  <NAME> (BBL000649)
7-(ethylamino)-4,6-dimethyl-2H-chromen-2-one

>  <Mol_Weight> (BBL000649)
217.27

>  <Mol_Formula> (BBL000649)
C13H15NO2

>  <Smiles> (BBL000649)
CCNc1cc2oc(=O)cc(c2cc1C)C

>  <CAS_Number> (BBL000649)
26078-25-1

>  <Alternative_identifier> (BBL000649)
MFCD00006860

$$$$