-ISIS-  08091621332D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.5667   -0.0042    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.9792   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -1.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    1.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7042   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7042    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5667   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  1  1  0  0  0  0
 11  8  2  0  0  0  0
 12  6  2  0  0  0  0
 13 11  1  0  0  0  0
  4  5  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <ID> (BBL000230)
BBL000230

>  <Rotatable_Bonds> (BBL000230)
0

>  <logP> (BBL000230)
0.274

>  <PSA> (BBL000230)
63.4

>  <H_Donors> (BBL000230)
2

>  <H_Acceptors> (BBL000230)
2

>  <Number_of_rings> (BBL000230)
2

>  <NAME> (BBL000230)
5-amino-2-methyl-1H-isoindole-1,3(2H)-dione

>  <Mol_Weight> (BBL000230)
176.17

>  <Mol_Formula> (BBL000230)
C9H8N2O2

>  <Smiles> (BBL000230)
Nc1ccc2c(c1)C(=O)N(C2=O)C

>  <CAS_Number> (BBL000230)
2307-00-8

>  <Alternative_identifier> (BBL000230)
MFCD00012081

$$$$