-ISIS-  08091621332D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.4292   -0.4917    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.4292    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917   -0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292   -0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -2.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292    2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917    2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667    2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  8  2  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13  6  1  0  0  0  0
 14 11  2  0  0  0  0
 15 13  2  0  0  0  0
  3  6  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <ID> (BBL000456)
BBL000456

>  <Rotatable_Bonds> (BBL000456)
3

>  <logP> (BBL000456)
0.328

>  <PSA> (BBL000456)
69.97

>  <H_Donors> (BBL000456)
1

>  <H_Acceptors> (BBL000456)
3

>  <Number_of_rings> (BBL000456)
2

>  <NAME> (BBL000456)
(4-oxoquinazolin-3(4H)-yl)acetic acid

>  <Mol_Weight> (BBL000456)
204.19

>  <Mol_Formula> (BBL000456)
C10H8N2O3

>  <Smiles> (BBL000456)
OC(=O)Cn1cnc2c(c1=O)cccc2

>  <CAS_Number> (BBL000456)
14663-53-7

>  <Alternative_identifier> (BBL000456)
MFCD02332713

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