-ISIS-  08091621332D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.2583   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2542   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2417    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583   -0.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7542    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7542   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7542   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7542    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    0.8583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  4  2  0  0  0  0
 11  4  1  0  0  0  0
 12  1  1  0  0  0  0
 13 15  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  2  0  0  0  0
 16 10  1  0  0  0  0
  3  9  2  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <ID> (BBL000112)
BBL000112

>  <SALTDATA> (BBL000112)
HCI

>  <Rotatable_Bonds> (BBL000112)
1

>  <logP> (BBL000112)
2.544

>  <PSA> (BBL000112)
63.32

>  <H_Donors> (BBL000112)
3

>  <H_Acceptors> (BBL000112)
2

>  <Number_of_rings> (BBL000112)
2

>  <NAME> (BBL000112)
4'-aminobiphenyl-4-carboxylic acid

>  <Mol_Weight> (BBL000112)
213.24

>  <Mol_Formula> (BBL000112)
C13H11NO2

>  <Smiles> (BBL000112)
Nc1ccc(cc1)c1ccc(cc1)C(=O)O

>  <CAS_Number> (BBL000112)
5730-78-9

>  <Alternative_identifier> (BBL000112)
MFCD01138446

$$$$