-ISIS-  08091621332D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.4333   -0.7417    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.4458   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250   -2.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3083   -2.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0208   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1458    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1708   -1.7292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0208    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1375    2.2708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250   -1.7667    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  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  2  0  0  0  0
 10  4  2  0  0  0  0
 11  3  2  0  0  0  0
 12 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15  5  2  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18  7  2  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
  7  6  1  0  0  0  0
 16 13  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <ID> (BBL000432)
BBL000432

>  <Rotatable_Bonds> (BBL000432)
0

>  <logP> (BBL000432)
2.259

>  <PSA> (BBL000432)
49.41

>  <H_Donors> (BBL000432)
1

>  <H_Acceptors> (BBL000432)
2

>  <Number_of_rings> (BBL000432)
3

>  <NAME> (BBL000432)
3-(2,5-difluorophenyl)quinazoline-2,4(1H,3H)-dione

>  <Mol_Weight> (BBL000432)
274.23

>  <Mol_Formula> (BBL000432)
C14H8F2N2O2

>  <Smiles> (BBL000432)
Fc1ccc(c(c1)n1c(=O)[nH]c2c(c1=O)cccc2)F

>  <Alternative_identifier> (BBL000432)
MFCD14703301

$$$$