-ISIS-  08251613502D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.1583    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    0.0208    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1583    1.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  8  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
 10 12  2  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
  6 11  2  0  0  0  0
M  CHG  1   2  -1
M  END
>  <ID> (STL373290)
STL373290

>  <SALTDATA> (STL373290)
Na+

>  <Rotatable_Bonds> (STL373290)
2

>  <logP> (STL373290)
0.557

>  <PSA> (STL373290)
66.15

>  <H_Donors> (STL373290)
2

>  <H_Acceptors> (STL373290)
2

>  <Number_of_rings> (STL373290)
1

>  <NAME> (STL373290)
3-(3-aminophenyl)propanoate

>  <Mol_Weight> (STL373290)
164.18

>  <Mol_Formula> (STL373290)
C9H10NO2

>  <Smiles> (STL373290)
[O-]C(=O)CCc1cccc(c1)N

$$$$