-ISIS-  08091621332D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.9292    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -0.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -1.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    1.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7125    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8083    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    1.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -1.4083    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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13 15  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  2  0  0  0  0
 16  5  1  0  0  0  0
 11 10  2  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <ID> (BBL000078)
BBL000078

>  <Rotatable_Bonds> (BBL000078)
1

>  <logP> (BBL000078)
1.154

>  <PSA> (BBL000078)
68.26

>  <H_Donors> (BBL000078)
3

>  <H_Acceptors> (BBL000078)
2

>  <Number_of_rings> (BBL000078)
2

>  <NAME> (BBL000078)
N-(4-amino-2-methylphenyl)furan-2-carboxamide

>  <Mol_Weight> (BBL000078)
216.24

>  <Mol_Formula> (BBL000078)
C12H12N2O2

>  <Smiles> (BBL000078)
Nc1ccc(c(c1)C)NC(=O)c1ccco1

>  <CAS_Number> (BBL000078)
404832-64-0

>  <Alternative_identifier> (BBL000078)
MFCD02018047

$$$$