-ISIS-  08091621332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.2458    0.7208    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3875    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3500    1.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    1.0083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3833   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2458   -2.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    0.2125    0.0000 C   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  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
  5  4  1  0  0  0  0
 14 18  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <ID> (BBL000813)
BBL000813

>  <Rotatable_Bonds> (BBL000813)
3

>  <logP> (BBL000813)
4.44

>  <PSA> (BBL000813)
16.96

>  <H_Donors> (BBL000813)
1

>  <H_Acceptors> (BBL000813)
0

>  <Number_of_rings> (BBL000813)
3

>  <NAME> (BBL000813)
N-[(1-phenyl-1H-pyrrol-2-yl)methyl]cyclohexanamine

>  <Mol_Weight> (BBL000813)
254.38

>  <Mol_Formula> (BBL000813)
C17H22N2

>  <Smiles> (BBL000813)
C1CCC(CC1)NCc1cccn1c1ccccc1

>  <Alternative_identifier> (BBL000813)
MFCD00468924

$$$$