-ISIS-  08091621332D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.9708   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2333   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6958    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6208   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6583    0.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2333   -1.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3833    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3583    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2750    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    1.6833    0.0000 Cl  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  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  2  0  0  0  0
 12  3  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
  4  5  2  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <ID> (BBL000837)
BBL000837

>  <Rotatable_Bonds> (BBL000837)
0

>  <logP> (BBL000837)
2.522

>  <PSA> (BBL000837)
44.89

>  <H_Donors> (BBL000837)
2

>  <H_Acceptors> (BBL000837)
1

>  <Number_of_rings> (BBL000837)
3

>  <NAME> (BBL000837)
6-chloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one

>  <Mol_Weight> (BBL000837)
220.66

>  <Mol_Formula> (BBL000837)
C11H9ClN2O

>  <Smiles> (BBL000837)
Clc1ccc2c(c1)c1CCNC(=O)c1[nH]2

>  <Alternative_identifier> (BBL000837)
MFCD00022203

$$$$