-ISIS-  08091621332D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.3583    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -0.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500    1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333    0.8625    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  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9 11  2  0  0  0  0
 10  4  2  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  2  0  0  0  0
  6  5  2  0  0  0  0
  8  9  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <ID> (BBL000273)
BBL000273

>  <Rotatable_Bonds> (BBL000273)
1

>  <logP> (BBL000273)
3.714

>  <PSA> (BBL000273)
52.05

>  <H_Donors> (BBL000273)
2

>  <H_Acceptors> (BBL000273)
1

>  <Number_of_rings> (BBL000273)
3

>  <NAME> (BBL000273)
4-(1,3-benzoxazol-2-yl)-2-methylaniline

>  <Mol_Weight> (BBL000273)
224.26

>  <Mol_Formula> (BBL000273)
C14H12N2O

>  <Smiles> (BBL000273)
Nc1ccc(cc1C)c1nc2c(o1)cccc2

>  <CAS_Number> (BBL000273)
792946-65-7

>  <Alternative_identifier> (BBL000273)
MFCD06666138

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