-ISIS-  08091621332D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -0.7750   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958   -0.7083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    0.6333    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4417    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <ID> (BBL000286)
BBL000286

>  <Rotatable_Bonds> (BBL000286)
4

>  <logP> (BBL000286)
2.607

>  <PSA> (BBL000286)
40.27

>  <H_Donors> (BBL000286)
1

>  <H_Acceptors> (BBL000286)
0

>  <Number_of_rings> (BBL000286)
1

>  <NAME> (BBL000286)
N-(thiophen-3-ylmethyl)butan-2-amine

>  <Mol_Weight> (BBL000286)
169.29

>  <Mol_Formula> (BBL000286)
C9H15NS

>  <Smiles> (BBL000286)
CCC(NCc1cscc1)C

>  <CAS_Number> (BBL000286)
892592-86-8

>  <Alternative_identifier> (BBL000286)
MFCD07411606

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