-ISIS-  08091621332D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.7583    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    0.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4500    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -0.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208   -0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -0.6333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8708   -0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -1.2583    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  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
  5  6  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <ID> (BBL015782)
BBL015782

>  <SALTDATA> (BBL015782)
HCl

>  <Rotatable_Bonds> (BBL015782)
5

>  <logP> (BBL015782)
2.349

>  <PSA> (BBL015782)
51.47

>  <H_Donors> (BBL015782)
1

>  <H_Acceptors> (BBL015782)
3

>  <Number_of_rings> (BBL015782)
2

>  <NAME> (BBL015782)
methyl 5-[(cyclohexylamino)methyl]furan-2-carboxylate

>  <Mol_Weight> (BBL015782)
237.30

>  <Mol_Formula> (BBL015782)
C13H19NO3

>  <Smiles> (BBL015782)
COC(=O)c1ccc(o1)CNC1CCCCC1

>  <Alternative_identifier> (BBL015782)
MFCD03776152

$$$$