-ISIS-  08091621332D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.1542   -1.0042    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2917   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
  3  7  1  0  0  0  0
M  CHG  1   1  -1
M  END
>  <ID> (BBL000714)
BBL000714

>  <SALTDATA> (BBL000714)
Na+

>  <Rotatable_Bonds> (BBL000714)
0

>  <logP> (BBL000714)
0.851

>  <PSA> (BBL000714)
35.09

>  <H_Donors> (BBL000714)
1

>  <H_Acceptors> (BBL000714)
1

>  <Number_of_rings> (BBL000714)
1

>  <NAME> (BBL000714)
4-(methylamino)phenolate

>  <Mol_Weight> (BBL000714)
122.15

>  <Mol_Formula> (BBL000714)
C7H8NO

>  <Smiles> (BBL000714)
CNc1ccc(cc1)[O-]

$$$$