-ISIS-  08091621332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.4833   -2.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    0.0958    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3958   -2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5833   -3.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7583    1.6333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4458    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3958   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5583   -4.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -2.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0667    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8333    2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4083    3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083    4.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083    4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  2  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13 15  1  0  0  0  0
 14  5  1  0  0  0  0
 15  2  1  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
  9 10  2  0  0  0  0
  5 13  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <ID> (BBL001032)
BBL001032

>  <SALTDATA> (BBL001032)
HBr

>  <Rotatable_Bonds> (BBL001032)
4

>  <logP> (BBL001032)
2.636

>  <PSA> (BBL001032)
33.45

>  <H_Donors> (BBL001032)
0

>  <H_Acceptors> (BBL001032)
2

>  <Number_of_rings> (BBL001032)
3

>  <NAME> (BBL001032)
1-(furan-2-yl)-3-(3-phenylpyrrolidin-1-yl)propan-1-one

>  <Mol_Weight> (BBL001032)
269.34

>  <Mol_Formula> (BBL001032)
C17H19NO2

>  <Smiles> (BBL001032)
O=C(c1ccco1)CCN1CCC(C1)c1ccccc1

>  <Alternative_identifier> (BBL001032)
MFCD02578811

$$$$