-ISIS-  08091621332D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.7250   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    1.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9792   -0.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7667   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <ID> (BBL000365)
BBL000365

>  <Rotatable_Bonds> (BBL000365)
2

>  <logP> (BBL000365)
0.375

>  <PSA> (BBL000365)
61.27

>  <H_Donors> (BBL000365)
4

>  <H_Acceptors> (BBL000365)
1

>  <Number_of_rings> (BBL000365)
1

>  <NAME> (BBL000365)
4-ethoxybenzene-1,2-diamine

>  <Mol_Weight> (BBL000365)
152.20

>  <Mol_Formula> (BBL000365)
C8H12N2O

>  <Smiles> (BBL000365)
CCOc1ccc(c(c1)N)N

>  <CAS_Number> (BBL000365)
1197-37-1

>  <Alternative_identifier> (BBL000365)
MFCD00640896

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