-ISIS-  08091621332D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.8583   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -1.7375    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
   -0.8708   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958   -0.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333   -1.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
  6  7  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <ID> (BBL000072)
BBL000072

>  <Rotatable_Bonds> (BBL000072)
3

>  <logP> (BBL000072)
3.465

>  <PSA> (BBL000072)
46.53

>  <H_Donors> (BBL000072)
1

>  <H_Acceptors> (BBL000072)
3

>  <Number_of_rings> (BBL000072)
2

>  <NAME> (BBL000072)
methyl 3-hydroxynaphthalene-2-carboxylate

>  <Mol_Weight> (BBL000072)
202.21

>  <Mol_Formula> (BBL000072)
C12H10O3

>  <Smiles> (BBL000072)
COC(=O)c1cc2ccccc2cc1O

>  <CAS_Number> (BBL000072)
883-99-8

>  <Alternative_identifier> (BBL000072)
MFCD00004099

$$$$