-ISIS-  08091621332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0083   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4542   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4667    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  2  2  0  0  0  0
 11 13  2  0  0  0  0
 12  5  2  0  0  0  0
 13 12  1  0  0  0  0
 14  9  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17 11  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  2  0  0  0  0
  4  7  1  0  0  0  0
  9 11  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <ID> (BBL000275)
BBL000275

>  <Rotatable_Bonds> (BBL000275)
1

>  <logP> (BBL000275)
3.213

>  <PSA> (BBL000275)
52.32

>  <H_Donors> (BBL000275)
2

>  <H_Acceptors> (BBL000275)
2

>  <Number_of_rings> (BBL000275)
3

>  <NAME> (BBL000275)
3-(3-amino-4-methylphenyl)-2H-chromen-2-one

>  <Mol_Weight> (BBL000275)
251.28

>  <Mol_Formula> (BBL000275)
C16H13NO2

>  <Smiles> (BBL000275)
O=c1oc2ccccc2cc1c1ccc(c(c1)N)C

>  <Alternative_identifier> (BBL000275)
MFCD05843345

$$$$