-ISIS-  08091621332D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.4458    0.0083    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4458   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -1.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.9917    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
    0.4333   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    1.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8958   -1.4917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  7  1  0  0  0  0
 11 16  2  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16 15  1  0  0  0  0
 17 14  2  0  0  0  0
 18  6  1  0  0  0  0
 19 12  2  0  0  0  0
 20 19  1  0  0  0  0
  6  5  1  0  0  0  0
 17 11  1  0  0  0  0
 20 18  2  0  0  0  0
M  END
>  <ID> (BBL000461)
BBL000461

>  <Rotatable_Bonds> (BBL000461)
1

>  <logP> (BBL000461)
3.227

>  <PSA> (BBL000461)
49.41

>  <H_Donors> (BBL000461)
1

>  <H_Acceptors> (BBL000461)
2

>  <Number_of_rings> (BBL000461)
3

>  <NAME> (BBL000461)
3-(4-chlorobenzyl)quinazoline-2,4(1H,3H)-dione

>  <Mol_Weight> (BBL000461)
286.72

>  <Mol_Formula> (BBL000461)
C15H11ClN2O2

>  <Smiles> (BBL000461)
Clc1ccc(cc1)Cn1c(=O)[nH]c2c(c1=O)cccc2

>  <Alternative_identifier> (BBL000461)
MFCD16653521

$$$$