-ISIS-  08091621332D

 15 16  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   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -1.3917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7958    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
   -2.8875   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3917   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5208    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7958    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5208    1.0958    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  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 14  2  0  0  0  0
 14  5  1  0  0  0  0
 15 13  1  0  0  0  0
 10  8  2  0  0  0  0
 11 15  2  0  0  0  0
M  END
>  <ID> (BBL000079)
BBL000079

>  <Rotatable_Bonds> (BBL000079)
1

>  <logP> (BBL000079)
1.081

>  <PSA> (BBL000079)
83.36

>  <H_Donors> (BBL000079)
3

>  <H_Acceptors> (BBL000079)
1

>  <Number_of_rings> (BBL000079)
2

>  <NAME> (BBL000079)
N-(3-aminophenyl)thiophene-2-carboxamide

>  <Mol_Weight> (BBL000079)
218.28

>  <Mol_Formula> (BBL000079)
C11H10N2OS

>  <Smiles> (BBL000079)
Nc1cccc(c1)NC(=O)c1cccs1

>  <CAS_Number> (BBL000079)
39880-85-8

>  <Alternative_identifier> (BBL000079)
MFCD02258056

$$$$