-ISIS-  08091621332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.8500    1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    0.7667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8625   -0.7458    0.0000 C   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
    0.0000   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0167    0.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542   -1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    2.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7167   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7167   -2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917   -0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917   -1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
 10  1  1  0  0  0  0
 11  4  1  0  0  0  0
 12  3  1  0  0  0  0
 13  5  2  0  0  0  0
 14  8  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
  5  8  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <ID> (BBL000547)
BBL000547

>  <Rotatable_Bonds> (BBL000547)
5

>  <logP> (BBL000547)
3.45

>  <PSA> (BBL000547)
46.53

>  <H_Donors> (BBL000547)
1

>  <H_Acceptors> (BBL000547)
3

>  <Number_of_rings> (BBL000547)
2

>  <NAME> (BBL000547)
2-(naphthalen-2-yloxy)butanoic acid

>  <Mol_Weight> (BBL000547)
230.26

>  <Mol_Formula> (BBL000547)
C14H14O3

>  <Smiles> (BBL000547)
CCC(C(=O)O)Oc1ccc2c(c1)cccc2

>  <Alternative_identifier> (BBL000547)
MFCD00757431

$$$$