-ISIS-  07291812442D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.0500   -0.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167    0.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5083   -1.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5083    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8 10  2  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 12 13  1  0  0  0  0
  8  4  1  0  0  0  0
M  END
>  <ID> (BBL101209)
BBL101209

>  <Supplier> (BBL101209)
VitasMLaboratory

>  <collection> (BBL101209)
Stock_Building_Blocks

>  <Rotatable_Bonds> (BBL101209)
1

>  <logP> (BBL101209)
1.416

>  <PSA> (BBL101209)
24.92

>  <H_Donors> (BBL101209)
1

>  <H_Acceptors> (BBL101209)
0

>  <Number_of_rings> (BBL101209)
2

>  <NAME> (BBL101209)
2-Pyridin-3-yl-azepane

>  <Mol_Weight> (BBL101209)
176.26

>  <Mol_Formula> (BBL101209)
C11H16N2

>  <Smiles> (BBL101209)
C1CCNC(CC1)c1cccnc1

>  <Alternative_identifier> (BBL101209)
MFCD02663702

>  <CAS_Number> (BBL101209)
130342-99-3

$$$$