-ISIS-  08091621332D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.4292    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    0.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.4917    0.0000 N   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
    0.4292   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    1.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.4958    0.0000 Cl  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  6  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  2  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 11  9  1  0  0  0  0
  3  5  1  0  0  0  0
M  END
>  <ID> (BBL000441)
BBL000441

>  <Rotatable_Bonds> (BBL000441)
0

>  <logP> (BBL000441)
1.365

>  <PSA> (BBL000441)
41.46

>  <H_Donors> (BBL000441)
1

>  <H_Acceptors> (BBL000441)
1

>  <Number_of_rings> (BBL000441)
2

>  <NAME> (BBL000441)
6-chloroquinazolin-4(3H)-one

>  <Mol_Weight> (BBL000441)
180.59

>  <Mol_Formula> (BBL000441)
C8H5ClN2O

>  <Smiles> (BBL000441)
Clc1ccc2c(c1)c(=O)[nH]cn2

>  <CAS_Number> (BBL000441)
16064-14-5

>  <Alternative_identifier> (BBL000441)
MFCD01686365

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