-ISIS-  08091621332D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -0.4500    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -0.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    2.0042    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
    0.4292   -2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -2.0208    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  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12 11  1  0  0  0  0
 12 10  2  0  0  0  0
M  END
>  <ID> (BBL000695)
BBL000695

>  <Rotatable_Bonds> (BBL000695)
2

>  <logP> (BBL000695)
2.3

>  <PSA> (BBL000695)
38.33

>  <H_Donors> (BBL000695)
1

>  <H_Acceptors> (BBL000695)
2

>  <Number_of_rings> (BBL000695)
1

>  <NAME> (BBL000695)
ethyl phenylcarbamate

>  <Mol_Weight> (BBL000695)
165.19

>  <Mol_Formula> (BBL000695)
C9H11NO2

>  <Smiles> (BBL000695)
CCOC(=O)Nc1ccccc1

>  <CAS_Number> (BBL000695)
101-99-5

>  <Alternative_identifier> (BBL000695)
MFCD00026806

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