-ISIS-  08091621332D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -0.4375    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.5083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1708    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583    0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4208    1.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.0208    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  2  1  0  0  0  0
  5 10  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  1  0  0  0  0
 11  4  2  0  0  0  0
M  END
>  <ID> (BBL028092)
BBL028092

>  <Rotatable_Bonds> (BBL028092)
5

>  <logP> (BBL028092)
-0.03

>  <PSA> (BBL028092)
52.49

>  <H_Donors> (BBL028092)
3

>  <H_Acceptors> (BBL028092)
2

>  <Number_of_rings> (BBL028092)
1

>  <NAME> (BBL028092)
3-[1-hydroxy-2-(methylamino)ethyl]phenol

>  <Mol_Weight> (BBL028092)
167.21

>  <Mol_Formula> (BBL028092)
C9H13NO2

>  <Smiles> (BBL028092)
CNCC(c1cccc(c1)O)O

>  <CAS_Number> (BBL028092)
1477-63-0

>  <Alternative_identifier> (BBL028092)
MFCD00063028

$$$$