-ISIS-  08091621332D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -0.8833    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    2.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    3.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -3.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -3.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  9  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9 13  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 14 11  1  0  0  0  0
 15  1  1  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <ID> (BBL000532)
BBL000532

>  <Rotatable_Bonds> (BBL000532)
3

>  <logP> (BBL000532)
0.302

>  <PSA> (BBL000532)
75.63

>  <H_Donors> (BBL000532)
2

>  <H_Acceptors> (BBL000532)
4

>  <Number_of_rings> (BBL000532)
1

>  <NAME> (BBL000532)
[4-(acetylamino)phenoxy]acetic acid

>  <Mol_Weight> (BBL000532)
209.20

>  <Mol_Formula> (BBL000532)
C10H11NO4

>  <Smiles> (BBL000532)
OC(=O)COc1ccc(cc1)NC(=O)C

>  <CAS_Number> (BBL000532)
39149-13-8

>  <Alternative_identifier> (BBL000532)
MFCD01242445

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