-ISIS-  08091621332D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.9458    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -1.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    1.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    1.6000    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  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  9  1  2  0  0  0  0
 10 13  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13 15  2  0  0  0  0
 14  4  1  0  0  0  0
 15  7  1  0  0  0  0
 16 10  1  0  0  0  0
 12 11  2  0  0  0  0
  4 10  2  0  0  0  0
M  END
>  <ID> (BBL000295)
BBL000295

>  <Rotatable_Bonds> (BBL000295)
1

>  <logP> (BBL000295)
1.694

>  <PSA> (BBL000295)
68.26

>  <H_Donors> (BBL000295)
3

>  <H_Acceptors> (BBL000295)
2

>  <Number_of_rings> (BBL000295)
2

>  <NAME> (BBL000295)
N-(3-amino-4-methylphenyl)furan-2-carboxamide

>  <Mol_Weight> (BBL000295)
216.24

>  <Mol_Formula> (BBL000295)
C12H12N2O2

>  <Smiles> (BBL000295)
O=C(c1ccco1)Nc1ccc(c(c1)N)C

>  <Alternative_identifier> (BBL000295)
MFCD02585705

$$$$